ChemSpider 2D Image | (4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate | C32H46Cl2N2O3

(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate

  • Molecular FormulaC32H46Cl2N2O3
  • Average mass577.625 Da
  • Monoisotopic mass576.288574 Da
  • ChemSpider ID2299936

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-oxooctadecahydronaphtho[2,1-f]chinolin-8-yl-{4-[bis(2-chlorethyl)amino]phenyl}acetat [German] [ACD/IUPAC Name]
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate [ACD/IUPAC Name]
{4-[Bis(2-chloroéthyl)amino]phényl}acétate de (4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-triméthyl-2-oxooctadécahydronaphto[2,1-f]quinoléin-8-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (4aS,4bR,6aS,8S,10aS,10bS,12aS)-octadecahydro-1,10a,12a-trimethyl-2-oxonaphtho[2,1-f]quinolin-8-yl ester [ACD/Index Name]
146678-52-6 [RN]
17a-Aza-D-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-methyl-, (3-β,5-α)-
3-Hydroxy-N-methyl-17-aza-D-homoandrostan-17-one-4-N,N-bis(2-chloroethyl)aminophenylacetate
Benzeneacetic acid,4-[bis(2-chloroethyl)amino]-,(4aS,4bR,6aS,8S,10aS,10bS,12aS)-octadecahydro-1,10a,12a-trimethyl-2-oxonaphtho[2,1-f]quinolin-8-ylester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 158.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 105558.05
ACD/KOC (pH 5.5): 135234.30
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 111018.51
ACD/KOC (pH 7.4): 142229.88
Polar Surface Area: 50 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 476.2±5.0 cm3

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