ChemSpider 2D Image | 1-(3,5-Dichlorophenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(3-ethoxypropyl)-1H-1,2,3-triazole-4-carboxamide | C21H24Cl2N6O2S

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

  • Molecular FormulaC21H24Cl2N6O2S
  • Average mass495.425 Da
  • Monoisotopic mass494.105835 Da
  • ChemSpider ID39326380

More details:

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

1-(3,5-Dichlorophenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(3-ethoxypropyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-(3,5-Dichlorophényl)-5-{[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]méthyl}-N-(3-éthoxypropyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(3,5-Dichlorphenyl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-N-(3-ethoxypropyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-(3,5-dichlorophenyl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-(3-ethoxypropyl)- [ACD/Index Name]
1-(3,5-dichlorophenyl)-5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-N-(3-ethoxypropyl)-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: 1.654
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 368.86
ACD/KOC (pH 5.5): 2278.19
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 31.21
ACD/KOC (pH 7.4): 192.74
Polar Surface Area: 120 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site


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