ChemSpider 2D Image | 3-(2-Furyl)-10-(4-methoxybenzyl)-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C32H30N2O4

3-(2-Furyl)-10-(4-methoxybenzyl)-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID12900212

More details:

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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-(2-furanyl)-2,3,4,5,10,11-hexahydro-11-(2-methoxyphenyl)-10-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
3-(2-Furyl)-10-(4-methoxybenzyl)-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-(2-Furyl)-10-(4-methoxybenzyl)-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
3-(2-Furyl)-10-(4-méthoxybenzyl)-11-(2-méthoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
3-(furan-2-yl)-10-(4-methoxybenzyl)-11-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11376.09
ACD/KOC (pH 5.5): 27718.70
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11568.39
ACD/KOC (pH 7.4): 28187.25
Polar Surface Area: 64 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

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