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| CAS No.: | 870007-79-7 |
|---|---|
| Name: | 2-[4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone hydrochloride |
| Molecular Structure: | |
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| Formula: | C38H45Cl2N5O4.HCl |
| Molecular Weight: | 743.173 |
| Synonyms: | 2-(4-{[(4;2-(4-{[(4;LogP |
| Boiling Point: | 790.7 °C at 760 mmHg |
| Flash Point: | 432 °C |
| PSA: | 77.92000 |
| LogP: | 6.82000 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:3 Page 1 of 1 1
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Specification
The cas register number of 2-[4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone hydrochloride is 870007-79-7. The Systematic name about this chemical is 4-[(4-{[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazin-1-yl)acetyl]morpholine hydrochloride.
Physical properties about 2-[4-[[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone hydrochloride are: (1)ACD/LogP: 6.26; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 9; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 77.92Å2; (6)Flash Point: 432 °C; (7)Enthalpy of Vaporization: 115 kJ/mol; (8)Boiling Point: 790.7 °C at 760 mmHg; (9)Vapour Pressure: 5.6E-25 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCOCC1)CN6CCN(C(=O)N4C(=N/[C@@H](c2ccc(Cl)cc2)[C@H]4c3ccc(Cl)cc3)\c5ccc(cc5OCC)C(C)(C)C)CC6.Cl
(2)InChI: InChI=1/C38H45Cl2N5O4.ClH/c1-5-49-32-24-28(38(2,3)4)10-15-31(32)36-41-34(26-6-11-29(39)12-7-26)35(27-8-13-30(40)14-9-27)45(36)37(47)44-18-16-42(17-19-44)25-33(46)43-20-22-48-23-21-43;/h6-15,24,34-35H,5,16-23,25H2,1-4H3;1H/t34-,35+;/m0./s1
(3)InChIKey: KAAXBEYVUXUVDR-PFHIRXQEBO
(4)Std. InChI: InChI=1S/C38H45Cl2N5O4.ClH/c1-5-49-32-24-28(38(2,3)4)10-15-31(32)36-41-34(26-6-11-29(39)12-7-26)35(27-8-13-30(40)14-9-27)45(36)37(47)44-18-16-42(17-19-44)25-33(46)43-20-22-48-23-21-43;/h6-15,24,34-35H,5,16-23,25H2,1-4H3;1H/t34-,35+;/m0./s1
(5)Std. InChIKey: KAAXBEYVUXUVDR-PFHIRXQESA-N