ChemSpider 2D Image | Methyl 4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate | C32H30N2O4

Methyl 4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID4354803

More details:

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

4-[10-(Cyclopropylcarbonyl)-3-(4-méthylphényl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-11-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[10-(cyclopropylcarbonyl)-2,3,4,5,10,11-hexahydro-3-(4-methylphenyl)-1-oxo-1H-dibenzo[b,e][1,4]diazepin-11-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoat [German] [ACD/IUPAC Name]
4-(10-Cyclopropanecarbonyl-1-oxo-3-p-tolyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-benzoic acid methyl ester
methyl 4-[10-(cyclopropylcarbonyl)-3-(4-methylphenyl)-1-oxo-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-11-yl]benzoate

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

A2692/0114675 [DBID]
EU-0053029 [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: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6078.73
ACD/KOC (pH 5.5): 17784.36
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6079.08
ACD/KOC (pH 7.4): 17785.35
Polar Surface Area: 76 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

Click to predict properties on the Chemicalize site


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