ChemSpider 2D Image | 1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE | C38H42Cl2N6O6

1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE

  • Molecular FormulaC38H42Cl2N6O6
  • Average mass749.683 Da
  • Monoisotopic mass748.254272 Da
  • ChemSpider ID32700798

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-{4-[5-(4-Acetyl-1-piperazinyl)-2-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenoxy]phenyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{4-[5-(4-Acétyl-1-pipérazinyl)-2-{[(2S,4R)-2-(2,4-dichlorophényl)-2-(1H-imidazol-1-ylméthyl)-1,3-dioxolan-4-yl]méthoxy}phénoxy]phényl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
1-(4-{4-[5-(4-Acetyl-1-piperazinyl)-2-{[(2S,4R)-2-(2,4-dichlorphenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenoxy]phenyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1346598-39-7 [RN]
1-ACETYL-4-(4-(((2RS,4SR)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)-3-(4-(4-ACETYLPIPERAZIN-1-YL)PHENOXY)PHENYL)PIPERAZINE
Ethanone, 1-[4-[4-[5-(4-acetyl-1-piperazinyl)-2-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenoxy]phenyl]-1-piperazinyl]- [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Q66P97422F [DBID]
UNII:Q66P97422F [DBID]
UNII-Q66P97422F [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 955.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 531.4±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 199.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 25.91
ACD/KOC (pH 5.5): 144.82
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 478.15
ACD/KOC (pH 7.4): 2672.20
Polar Surface Area: 102 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 544.4±7.0 cm3

Click to predict properties on the Chemicalize site


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