ChemSpider 2D Image | N-Allyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)benzamide | C33H33FN2O4

N-Allyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC33H33FN2O4
  • Average mass540.625 Da
  • Monoisotopic mass540.242432 Da
  • ChemSpider ID3210482

More details:

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

Benzamide, 4-(1,1-dimethylethyl)-N-[2-[[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-2-propen-1-yl- [ACD/Index Name]
N-Allyl-N-(2-{(4-fluorbenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-Allyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-Allyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromén-3-yl)méthyl]amino}-2-oxoéthyl)-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4505.25
ACD/KOC (pH 5.5): 14352.44
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4505.26
ACD/KOC (pH 7.4): 14352.44
Polar Surface Area: 67 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 449.4±3.0 cm3

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