ChemSpider 2D Image | 2-{[4-(2-Isopropylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-1-(2-thienyl)propyl]acetamide | C26H29N5OS2

2-{[4-(2-Isopropylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-1-(2-thienyl)propyl]acetamide

  • Molecular FormulaC26H29N5OS2
  • Average mass491.671 Da
  • Monoisotopic mass491.181366 Da
  • ChemSpider ID22086366

More details:

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

2-{[4-(2-Isopropylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-1-(2-thienyl)propyl]acetamid [German] [ACD/IUPAC Name]
2-{[4-(2-Isopropylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-1-(2-thienyl)propyl]acetamide [ACD/IUPAC Name]
2-{[4-(2-Isopropylphényl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-méthyl-1-(2-thiényl)propyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-[2-(1-methylethyl)phenyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-methyl-1-(2-thienyl)propyl]- [ACD/Index Name]

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: 1.663
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12135.17
ACD/KOC (pH 5.5): 29165.03
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12143.54
ACD/KOC (pH 7.4): 29185.14
Polar Surface Area: 126 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site


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