ChemSpider 2D Image | Methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate | C33H33FN2O4

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

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID3596689

More details:

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

4-[3-(4-Fluorophényl)-10-hexanoyl-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-[3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1-oxo-10-(1-oxohexyl)-1H-dibenzo[b,e][1,4]diazepin-11-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[3-(4-fluorphenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoat [German] [ACD/IUPAC Name]
4-[3-(4-Fluoro-phenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-benzoic acid methyl ester
methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-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

A2751/0116899 [DBID]
EU-0086434 [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: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 100193.32
ACD/KOC (pH 5.5): 132182.03
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 100198.71
ACD/KOC (pH 7.4): 132189.14
Polar Surface Area: 76 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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