ChemSpider 2D Image | 7-Benzoyl-3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C31H32N2O5

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

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID2386641

More details:

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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 7-benzoyl-2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
7-Benzoyl-3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
7-Benzoyl-3,3-dimethyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
7-Benzoyl-3,3-diméthyl-11-(3,4,5-triméthoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
2-BENZOYL-9,9-DIMETHYL-6-(3,4,5-TRIMETHOXYPHENYL)-6,8,10,11-TETRAHYDRO-5H-BENZO[C][1,5]BENZODIAZEPIN-7-ONE

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

BAS 01832359 [DBID]
ChemDiv1_007401 [DBID]
EU-0041863 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2357.48
ACD/KOC (pH 5.5): 9021.51
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2363.42
ACD/KOC (pH 7.4): 9044.24
Polar Surface Area: 86 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 401.6±5.0 cm3

Click to predict properties on the Chemicalize site


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