ChemSpider 2D Image | N-Benzyl-5-[({5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide | C19H15FN6OS3

N-Benzyl-5-[({5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide

  • Molecular FormulaC19H15FN6OS3
  • Average mass458.555 Da
  • Monoisotopic mass458.045349 Da
  • ChemSpider ID70844867

More details:

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

1,3,4-Thiadiazole-2-carboxamide, 5-[[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-5-[({5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-1,3,4-thiadiazole-2-carboxamide [ACD/IUPAC Name]
N-Benzyl-5-[({5-[(2-fluorophényl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)méthyl]-1,3,4-thiadiazole-2-carboxamide [French] [ACD/IUPAC Name]
N-Benzyl-5-[({5-[(2-fluorphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-1,3,4-thiadiazol-2-carboxamid [German] [ACD/IUPAC 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: 1.716
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 271.00
ACD/KOC (pH 5.5): 1919.21
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 271.00
ACD/KOC (pH 7.4): 1919.22
Polar Surface Area: 174 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

Click to predict properties on the Chemicalize site


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