ChemSpider 2D Image | N-{(1R)-2-(1H-Indol-3-yl)-1-[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}nicotinamide | C34H32N6O2

N-{(1R)-2-(1H-Indol-3-yl)-1-[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}nicotinamide

  • Molecular FormulaC34H32N6O2
  • Average mass556.657 Da
  • Monoisotopic mass556.258667 Da
  • ChemSpider ID59006966

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index Name]
N-{(1R)-2-(1H-Indol-3-yl)-1-[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}nicotinamid [German] [ACD/IUPAC Name]
N-{(1R)-2-(1H-Indol-3-yl)-1-[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl}nicotinamide [ACD/IUPAC Name]
N-{(1R)-2-(1H-Indol-3-yl)-1-[4-(4-méthoxybenzyl)-5-(2-phényléthyl)-4H-1,2,4-triazol-3-yl]éthyl}nicotinamide [French] [ACD/IUPAC 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: 1.665
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1817.79
ACD/KOC (pH 5.5): 7479.65
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1830.86
ACD/KOC (pH 7.4): 7533.41
Polar Surface Area: 98 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 445.1±7.0 cm3

Click to predict properties on the Chemicalize site


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