ChemSpider 2D Image | 11-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C30H32N2O7

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

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID3160790

More details:

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

11-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
11-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-(4-Hydroxy-3,5-diméthoxyphényl)-3-(3,4,5-triméthoxyphényl)-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, 2,3,4,5,10,11-hexahydro-11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
11-(4-Hydroxy-3,5-dimethoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-2,3,4,5,10,11-hexahydro-dibenzo[b,e][1,4]diazepin-1-one
11-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one

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

A3193/0135313 [DBID]
EU-0048303 [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: 702.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 378.9±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 108.71
ACD/KOC (pH 5.5): 987.40
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.33
ACD/KOC (pH 7.4): 1020.22
Polar Surface Area: 108 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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