ChemSpider 2D Image | 2-({5-(4-Fluorobenzyl)-4-[(E)-(2-thienylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide | C19H15FN6OS3

2-({5-(4-Fluorobenzyl)-4-[(E)-(2-thienylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide

  • Molecular FormulaC19H15FN6OS3
  • Average mass458.555 Da
  • Monoisotopic mass458.045349 Da
  • ChemSpider ID126492226

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({5-(4-Fluorbenzyl)-4-[(E)-(2-thienylmethylen)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamid [German] [ACD/IUPAC Name]
2-({5-(4-Fluorobenzyl)-4-[(E)-(2-thienylmethylene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide [ACD/IUPAC Name]
2-({5-(4-Fluorobenzyl)-4-[(E)-(2-thiénylméthylène)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(4-fluorophenyl)methyl]-4-[[(1E)-2-thienylmethylene]amino]-4H-1,2,4-triazol-3-yl]thio]-N-2-thiazolyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.751
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 619.83
ACD/KOC (pH 5.5): 3453.30
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 276.88
ACD/KOC (pH 7.4): 1542.59
Polar Surface Area: 167 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 302.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement