ChemSpider 2D Image | 1-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxamide | C24H24N6O2S3

1-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxamide

  • Molecular FormulaC24H24N6O2S3
  • Average mass524.681 Da
  • Monoisotopic mass524.112305 Da
  • ChemSpider ID21573642

More details:






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

1-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{[2-({[4-(3-Methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{[2-({[4-(3-Méthylphényl)-5-(2-thiényl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-1,3-thiazol-4-yl]carbonyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[2-[[[4-(3-methylphenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 818.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 448.8±37.1 °C
Index of Refraction: 1.775
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.85
ACD/KOC (pH 5.5): 1031.62
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.85
ACD/KOC (pH 7.4): 1031.64
Polar Surface Area: 189 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 345.6±7.0 cm3

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