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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 |
EINECS | N/A |
CAS No. | 870007-79-7 | Density | N/A |
PSA | 77.92000 | LogP | 6.82000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C38H45Cl2N5O4.HCl | Boiling Point | 790.7 °C at 760 mmHg |
Molecular Weight | 743.173 | Flash Point | 432 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-{[(4;2-(4-{[(4;LogP |
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