ChemSpider 2D Image | (11R)-10-Acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C23H22Cl2N2O3

(11R)-10-Acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC23H22Cl2N2O3
  • Average mass445.338 Da
  • Monoisotopic mass444.100739 Da
  • ChemSpider ID24692535

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11R)-10-Acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
(11R)-10-Acétyl-11-(2,4-dichlorophényl)-6-hydroxy-3,3-diméthyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
(11R)-10-Acetyl-11-(2,4-dichlorphenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 10-acetyl-11-(2,4-dichlorophenyl)-2,3,4,5,10,11-hexahydro-6-hydroxy-3,3-dimethyl-, (11R)- [ACD/Index Name]
(10R)-9-acetyl-10-(2,4-dichlorophenyl)-4-hydroxy-14,14-dimethyl-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraen-12-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466269/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1972.62
ACD/KOC (pH 5.5): 7946.48
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1956.18
ACD/KOC (pH 7.4): 7880.27
Polar Surface Area: 70 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 312.1±5.0 cm3

Click to predict properties on the Chemicalize site


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