ChemSpider 2D Image | 1-(3-Chloro-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(4-phenyl-2-butanyl)-1H-1,2,3-triazole-4-carboxamide | C27H29ClN6OS

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

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID39326761

More details:






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

1-(3-Chlor-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(4-phenyl-2-butanyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-(3-Chloro-4-methylphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(4-phenyl-2-butanyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-(3-Chloro-4-méthylphényl)-5-{[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]méthyl}-N-(4-phényl-2-butanyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-(3-chloro-4-methylphenyl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-(1-methyl-3-phenylpropyl)- [ACD/Index Name]
1-(3-chloro-4-methylphenyl)-5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-N-(4-phenylbutan-2-yl)-1H-1,2,3-triazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 5.96
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8355.72
ACD/KOC (pH 5.5): 22331.60
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8266.53
ACD/KOC (pH 7.4): 22093.26
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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