ChemSpider 2D Image | 1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-1-piperidinyl]-2,2-diphenylethanone | C30H28N6O2

1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-1-piperidinyl]-2,2-diphenylethanone

  • Molecular FormulaC30H28N6O2
  • Average mass504.582 Da
  • Monoisotopic mass504.227386 Da
  • ChemSpider ID17901875

More details:

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

1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-1-piperidinyl]-2,2-diphenylethanon [German] [ACD/IUPAC Name]
1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-1-piperidinyl]-2,2-diphenylethanone [ACD/IUPAC Name]
1-[4-(3-Benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-1-pipéridinyl]-2,2-diphényléthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[7-hydroxy-3-(phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-yl]-1-piperidinyl]-2,2-diphenyl- [ACD/Index Name]

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: 1.706
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.35
ACD/KOC (pH 5.5): 21.03
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 18.62
Polar Surface Area: 97 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 378.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement