ChemSpider 2D Image | 5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | C27H27N7O2S

5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID39326581

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)- [ACD/Index Name]
5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-{[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-{[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]méthyl}-N-[2-(1H-indol-3-yl)éthyl]-1-(4-méthoxyphényl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
N-(2-(1H-indol-3-yl)ethyl)-5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.34
ACD/KOC (pH 5.5): 2663.34
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.23
ACD/KOC (pH 7.4): 2662.65
Polar Surface Area: 136 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 378.8±7.0 cm3

Click to predict properties on the Chemicalize site


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