ChemSpider 2D Image | 1-Ethyl-3-[3-hydroxy-5-(3-pyridinyl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | C29H22F3N3O3

1-Ethyl-3-[3-hydroxy-5-(3-pyridinyl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

  • Molecular FormulaC29H22F3N3O3
  • Average mass517.498 Da
  • Monoisotopic mass517.161316 Da
  • ChemSpider ID34530993

More details:

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

1-Ethyl-3-[3-hydroxy-5-(3-pyridinyl)phenyl]-5-phenyl-7-(trifluormethyl)-1H-1,5-benzodiazepin-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
1-Ethyl-3-[3-hydroxy-5-(3-pyridinyl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione [ACD/IUPAC Name]
1-Éthyl-3-[3-hydroxy-5-(3-pyridinyl)phényl]-5-phényl-7-(trifluorométhyl)-1H-1,5-benzodiazépine-2,4(3H,5H)-dione [French] [ACD/IUPAC Name]
1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 1-ethyl-3-[3-hydroxy-5-(3-pyridinyl)phenyl]-5-phenyl-7-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 820.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 449.7±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 589.46
ACD/KOC (pH 5.5): 2955.46
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 28.87
ACD/KOC (pH 7.4): 144.77
Polar Surface Area: 74 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 385.5±3.0 cm3

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