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

3-(4-Methoxyphenyl)-10-propionyl-11-(2-propoxyphenyl)-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 ID2157063

More details:






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

1H-Dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3-(4-methoxyphenyl)-10-(1-oxopropyl)-11-(2-propoxyphenyl)- [ACD/Index Name]
3-(4-Methoxyphenyl)-10-propionyl-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-10-propionyl-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
3-(4-Méthoxyphényl)-10-propionyl-11-(2-propoxyphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
3-(4-methoxyphenyl)-10-propanoyl-11-(2-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
332861-41-3 [RN]
9-(4-methoxyphenyl)-5-propanoyl-6-(2-propoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
AC1MEQQ6
AGN-PC-05Z0MR
AKOS001488712
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 01849525 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 711.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.3±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11365.27
ACD/KOC (pH 5.5): 27832.97
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11366.48
ACD/KOC (pH 7.4): 27835.94
Polar Surface Area: 68 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 411.6±5.0 cm3

Click to predict properties on the Chemicalize site






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