ChemSpider 2D Image | N-{(R)-1H-Indol-3-yl[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2-pyrazinecarboxamide | C32H29N7O2

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

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID23311448

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, N-[(R)-1H-indol-3-yl[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
N-{(R)-1H-Indol-3-yl[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
N-{(R)-1H-Indol-3-yl[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-2-pyrazinecarboxamide [ACD/IUPAC Name]
N-{(R)-1H-Indol-3-yl[4-(4-méthoxybenzyl)-5-(2-phényléthyl)-4H-1,2,4-triazol-3-yl]méthyl}-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
N-{(R)-1H-indol-3-yl[4-(4-methoxybenzyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrazine-2-carboxamide
(R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)pyrazine-2-carboxamide
CHEMBL401084
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401084/

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: 1.687
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1231.62
ACD/KOC (pH 5.5): 5670.61
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1232.90
ACD/KOC (pH 7.4): 5676.50
Polar Surface Area: 111 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 417.7±7.0 cm3

Click to predict properties on the Chemicalize site


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