ChemSpider 2D Image | N-(2-{(4-Fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-3,5-dimethoxy-N-(3-methylbutyl)benzamide | C33H35FN2O6

N-(2-{(4-Fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-3,5-dimethoxy-N-(3-methylbutyl)benzamide

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID3632647

More details:






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

Benzamide, N-[2-[[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-methylbutyl)- [ACD/Index Name]
N-(2-{(4-Fluorbenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-3,5-dimethoxy-N-(3-methylbutyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{(4-Fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-3,5-dimethoxy-N-(3-methylbutyl)benzamide [ACD/IUPAC Name]
N-(2-{(4-Fluorobenzyl)[(4-oxo-4H-chromén-3-yl)méthyl]amino}-2-oxoéthyl)-3,5-diméthoxy-N-(3-méthylbutyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 743.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4566.15
ACD/KOC (pH 5.5): 14491.02
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4566.15
ACD/KOC (pH 7.4): 14491.02
Polar Surface Area: 85 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

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