ChemSpider 2D Image | 4-{11-(4-Fluorophenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid | C33H33FN2O4

4-{11-(4-Fluorophenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID3181573

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-butanoic acid, 3-[4-(1,1-dimethylethyl)phenyl]-11-(4-fluorophenyl)-1,2,3,4,5,11-hexahydro-γ,1-dioxo- [ACD/Index Name]
4-{11-(4-Fluorophenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{11-(4-Fluorphenyl)-3-[4-(2-methyl-2-propanyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{11-(4-fluorophényl)-3-[4-(2-méthyl-2-propanyl)phényl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
4-[3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-tert-Butyl-phenyl)-11-(4-fluoro-phenyl)-1-oxo-1,2,3,4,5,11-hexahydro-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-butyric acid
4-{3-[4-(tert-butyl)phenyl]-11-(4-fluorophenyl)-1-oxo(2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-10-yl)}-4-oxobutanoic acid

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

A2692/0114683 [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: 758.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.6±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 583.18
ACD/KOC (pH 5.5): 1416.51
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 9.77
ACD/KOC (pH 7.4): 23.74
Polar Surface Area: 87 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 415.1±5.0 cm3

Click to predict properties on the Chemicalize site


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