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870120-40-4

Basic Information
CAS No.: 870120-40-4
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
Molecular Structure:
Molecular Structure of 870120-40-4 (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)
Formula: C38H45Cl2N5O4
Molecular Weight: 706.712
Synonyms: 2-(4-{[(4;2-(4-{[(4;LogP
Density: 1.29
Boiling Point: 790.654oC at 760 mmHg
Flash Point: 431.972°C
PSA: 77.92000
LogP: 5.62790
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Chemistry

Molecule structure 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 (CAS NO.870120-40-4):

Systematic Name: 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 
Molecular Formula: C38H45Cl2N5O4
Molecular Weight: 706.70 g/mol
CAS Registry Number: 870120-40-4 
Index of Refraction: 1.63
Molar Refractivity: 194.743 cm3
Molar Volume: 547.649 cm3
Polarizability: 77.202×10-24 cm3
Surface Tension: 47.962 dyne/cm
Density: 1.29 g/cm3
Flash Point: 431.972 °C
Enthalpy of Vaporization: 115.003 kJ/mol
Boiling Point: 790.654 °C at 760 mmHg 
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
InChI: InChI=1/C38H45Cl2N5O4/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/t34-,35+/m0/s1
InChIKey: GIACJSLWRXWOGS-OIDHKYIRBR
Std. InChI: InChI=1S/C38H45Cl2N5O4/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/t34-,35+/m0/s1
Std. InChIKey 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 (CAS NO.870120-40-4): GIACJSLWRXWOGS-OIDHKYIRSA-N

Specification

 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 (CAS NO.870120-40-4) is also named as 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 .