ChemSpider 2D Image | 4-Methyl-N-({1-[(2S)-1-(2-naphthyl)-4-nitroso-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)benzamide | C25H23N5O3

4-Methyl-N-({1-[(2S)-1-(2-naphthyl)-4-nitroso-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)benzamide

  • Molecular FormulaC25H23N5O3
  • Average mass441.482 Da
  • Monoisotopic mass441.180084 Da
  • ChemSpider ID35034167

  • 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, 4-[[(4-methylbenzoyl)amino]methyl]-β-(2-naphthalenylmethyl)-N-oxo-, (βS)- [ACD/Index Name]
4-Methyl-N-({1-[(2S)-1-(2-naphthyl)-4-nitroso-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-({1-[(2S)-1-(2-naphthyl)-4-nitroso-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-({1-[(2S)-1-(2-naphtyl)-4-nitroso-4-oxo-2-butanyl]-1H-1,2,3-triazol-4-yl}méthyl)benzamide [French] [ACD/IUPAC Name]
4-Methyl-N-({1-[(2s)-1-(Naphthalen-2-Yl)-4-Nitroso-4-Oxobutan-2-Yl]-1h-1,2,3-Triazol-4-Yl}methyl)benzamide

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: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.18
ACD/KOC (pH 5.5): 1392.94
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.19
ACD/KOC (pH 7.4): 1392.95
Polar Surface Area: 106 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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