ChemSpider 2D Image | 1-(3-Chloro-4-methylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C27H29ClN6O3S

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

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID39326758

More details:

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

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

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: 1.646
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1504.27
ACD/KOC (pH 5.5): 6544.92
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1491.51
ACD/KOC (pH 7.4): 6489.42
Polar Surface Area: 129 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 416.6±7.0 cm3

Click to predict properties on the Chemicalize site


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