ChemSpider 2D Image | 3-(2-Furyl)-N-(4-methoxyphenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide | C31H27N3O4

3-(2-Furyl)-N-(4-methoxyphenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID12900207

More details:






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

10H-Dibenzo[b,e][1,4]diazepine-10-carboxamide, 3-(2-furanyl)-1,2,3,4,5,11-hexahydro-N-(4-methoxyphenyl)-1-oxo-11-phenyl- [ACD/Index Name]
3-(2-Furyl)-N-(4-methoxyphenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-carboxamid [German] [ACD/IUPAC Name]
3-(2-Furyl)-N-(4-methoxyphenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide [ACD/IUPAC Name]
3-(2-Furyl)-N-(4-méthoxyphényl)-1-oxo-11-phényl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépine-10-carboxamide [French] [ACD/IUPAC Name]
3-(furan-2-yl)-N-(4-methoxyphenyl)-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
3-Furan-2-yl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepine-10-carboxylic acid (4-methoxy-phenyl)-amide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3580.24
ACD/KOC (pH 5.5): 12174.75
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3555.62
ACD/KOC (pH 7.4): 12091.03
Polar Surface Area: 84 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 374.0±5.0 cm3

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