ChemSpider 2D Image | (3E)-3-{[(2-Methoxyethyl)amino]methylene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione | C21H20F3N3O3

(3E)-3-{[(2-Methoxyethyl)amino]methylene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

  • Molecular FormulaC21H20F3N3O3
  • Average mass419.397 Da
  • Monoisotopic mass419.145691 Da
  • ChemSpider ID26376052

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-{[(2-Methoxyethyl)amino]methylen}-1-methyl-5-phenyl-7-(trifluormethyl)-1H-1,5-benzodiazepin-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
(3E)-3-{[(2-Methoxyethyl)amino]methylene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione [ACD/IUPAC Name]
(3E)-3-{[(2-Méthoxyéthyl)amino]méthylène}-1-méthyl-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, 3-[[(2-methoxyethyl)amino]methylene]-1-methyl-5-phenyl-7-(trifluoromethyl)-, (3E)- [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: 512.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.9±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.09
ACD/KOC (pH 5.5): 369.13
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.09
ACD/KOC (pH 7.4): 369.18
Polar Surface Area: 62 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

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