ChemSpider 2D Image | N-({1-[(2R)-4-(Hydroxyamino)-1-(2-naphthyl)-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide | C25H25N5O3

N-({1-[(2R)-4-(Hydroxyamino)-1-(2-naphthyl)-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide

  • Molecular FormulaC25H25N5O3
  • Average mass443.498 Da
  • Monoisotopic mass443.195740 Da
  • ChemSpider ID35033608

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Triazole-1-propanamide, N-hydroxy-4-[[(4-methylbenzoyl)amino]methyl]-β-(2-naphthalenylmethyl)-, (βR)- [ACD/Index Name]
N-({1-[(2R)-4-(Hydroxyamino)-1-(2-naphthyl)-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamid [German] [ACD/IUPAC Name]
N-({1-[(2R)-4-(Hydroxyamino)-1-(2-naphthyl)-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide [ACD/IUPAC Name]
N-({1-[(2R)-4-(Hydroxyamino)-1-(2-naphtyl)-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}méthyl)-4-méthylbenzamide [French] [ACD/IUPAC Name]
N-({1-[(2r)-4-(Hydroxyamino)-1-(Naphthalen-2-Yl)-4-Oxobutan-2-Yl]-1h-1,2,3-Triazol-4-Yl}methyl)-4-Methylbenzamide
1EF

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.67
ACD/KOC (pH 5.5): 688.17
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.25
ACD/KOC (pH 7.4): 673.05
Polar Surface Area: 109 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 341.2±7.0 cm3

Click to predict properties on the Chemicalize site


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