ChemSpider 2D Image | (4aS,4bR,10bS,12aS)-12a-Methyl-2-oxo-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate | C30H36Cl2N2O3

(4aS,4bR,10bS,12aS)-12a-Methyl-2-oxo-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate

  • Molecular FormulaC30H36Cl2N2O3
  • Average mass543.524 Da
  • Monoisotopic mass542.210327 Da
  • ChemSpider ID143459

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,4bR,10bS,12aS)-12a-Methyl-2-oxo-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]chinolin-8-yl-{4-[bis(2-chlorethyl)amino]phenyl}acetat [German] [ACD/IUPAC Name]
(4aS,4bR,10bS,12aS)-12a-Methyl-2-oxo-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[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,10bS,12aS)-12a-méthyl-2-oxo-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodécahydronaphto[2,1-f]quinoléin-8-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, (4aS,4bR,10bS,12aS)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-12a-methyl-2-oxonaphtho[2,1-f]quinolin-8-yl ester [ACD/Index Name]
17a-Aza-D-homoestra-1,3,5(10)-trien-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-
17-Aza-homo-δ (1,3,5(10)) estratrien-3-ol-17-one-4-N,N-bis(2-chloroethyl)aminophenylacetate
17α-Aza-homo-δ (1,3,5(10)) estratrien-3-ol-17-one-4-N,N-bis(2-chloroethyl)aminophenylacetate
87777-66-0 [RN]
Azebcap

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11249.49
ACD/KOC (pH 5.5): 27253.69
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11799.07
ACD/KOC (pH 7.4): 28585.15
Polar Surface Area: 59 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 439.6±3.0 cm3

Click to predict properties on the Chemicalize site


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