ChemSpider 2D Image | 4-Benzyl-5-[1-(1-phenyl-1H-tetrazol-5-yl)-4-piperidinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | C21H22N8O

4-Benzyl-5-[1-(1-phenyl-1H-tetrazol-5-yl)-4-piperidinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC21H22N8O
  • Average mass402.452 Da
  • Monoisotopic mass402.191650 Da
  • ChemSpider ID29643430

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-(phenylmethyl)-5-[1-(1-phenyl-1H-tetrazol-5-yl)-4-piperidinyl]- [ACD/Index Name]
4-Benzyl-5-[1-(1-phenyl-1H-tetrazol-5-yl)-4-piperidinyl]-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-Benzyl-5-[1-(1-phenyl-1H-tetrazol-5-yl)-4-piperidinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-Benzyl-5-[1-(1-phényl-1H-tétrazol-5-yl)-4-pipéridinyl]-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.751
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 173.10
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 168.54
Polar Surface Area: 92 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement