ChemSpider 2D Image | N-(Cyclopropylmethyl)-N-(2-{[1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide | C30H27FN4O5

N-(Cyclopropylmethyl)-N-(2-{[1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID22613872

More details:

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

1,3-Benzodioxole-5-carboxamide, N-(cyclopropylmethyl)-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]amino]-2-oxoethyl]- [ACD/Index Name]
N-(Cyclopropylmethyl)-N-(2-{[1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-(Cyclopropylméthyl)-N-(2-{[1-(4-fluorophényl)-4-(4-méthoxyphényl)-1H-imidazol-2-yl]amino}-2-oxoéthyl)-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
N-(Cyclopropylmethyl)-N-(2-{[1-(4-fluorphenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]amino}-2-oxoethyl)-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.75
ACD/KOC (pH 5.5): 2828.69
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 472.31
ACD/KOC (pH 7.4): 2856.24
Polar Surface Area: 95 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 390.7±7.0 cm3

Click to predict properties on the Chemicalize site


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