ChemSpider 2D Image | 10-Benzoyl-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C32H34N2O4

10-Benzoyl-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC32H34N2O4
  • Average mass510.623 Da
  • Monoisotopic mass510.251862 Da
  • ChemSpider ID2935580

More details:






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

10-Benzoyl-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
10-Benzoyl-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
10-Benzoyl-11-(3-méthoxy-4-propoxyphényl)-3,3-diméthyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 10-benzoyl-2,3,4,5,10,11-hexahydro-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl- [ACD/Index Name]
10-Benzoyl-11-(3-methoxy-4-propoxy-phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-10-(phenylcarbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
371142-71-1 [RN]
5-benzoyl-6-(3-methoxy-4-propoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11776.53
ACD/KOC (pH 5.5): 28550.49
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11777.39
ACD/KOC (pH 7.4): 28552.59
Polar Surface Area: 68 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

Click to predict properties on the Chemicalize site






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