ChemSpider 2D Image | 5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C17H17N3O3

5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC17H17N3O3
  • Average mass311.335 Da
  • Monoisotopic mass311.126984 Da
  • ChemSpider ID26000910

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]- [ACD/Index Name]
5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-(2-Méthoxybenzyl)-4-(2-méthoxyphényl)-2,4-dihydro-3H-1,2,4-triazol-3-one [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 204.65
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.33
Polar Surface Area: 63 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 249.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement