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Search term: LEDFGTHWEXCLPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(4-Butylphenyl)-1-(3-chloro-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C27H29ClN6OS

N-(4-Butylphenyl)-1-(3-chloro-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID49643838

More details:

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

1H-1,2,3-Triazole-4-carboxamide, N-(4-butylphenyl)-1-(3-chloro-4-methylphenyl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]- [ACD/Index Name]
N-(4-Butylphenyl)-1-(3-chlor-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(4-Butylphenyl)-1-(3-chloro-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-(4-Butylphényl)-1-(3-chloro-4-méthylphényl)-5-{[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]méthyl}-1H-1,2,3-triazole-4-carboxamide [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: 1.655
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14377.61
ACD/KOC (pH 5.5): 32934.39
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14367.72
ACD/KOC (pH 7.4): 32911.73
Polar Surface Area: 111 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 404.6±7.0 cm3

Click to predict properties on the Chemicalize site


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