ChemSpider 2D Image | N-(4-Fluorophenyl)-5-{1-[2-(trifluoromethyl)benzoyl]-2-pyrrolidinyl}-1,3,4-thiadiazole-2-carboxamide | C21H16F4N4O2S

N-(4-Fluorophenyl)-5-{1-[2-(trifluoromethyl)benzoyl]-2-pyrrolidinyl}-1,3,4-thiadiazole-2-carboxamide

  • Molecular FormulaC21H16F4N4O2S
  • Average mass464.436 Da
  • Monoisotopic mass464.093018 Da
  • ChemSpider ID28963101

More details:

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

1,3,4-Thiadiazole-2-carboxamide, N-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)benzoyl]-2-pyrrolidinyl]- [ACD/Index Name]
N-(4-Fluorophenyl)-5-{1-[2-(trifluoromethyl)benzoyl]-2-pyrrolidinyl}-1,3,4-thiadiazole-2-carboxamide [ACD/IUPAC Name]
N-(4-Fluorophényl)-5-{1-[2-(trifluorométhyl)benzoyl]-2-pyrrolidinyl}-1,3,4-thiadiazole-2-carboxamide [French] [ACD/IUPAC Name]
N-(4-Fluorphenyl)-5-{1-[2-(trifluormethyl)benzoyl]-2-pyrrolidinyl}-1,3,4-thiadiazol-2-carboxamid [German] [ACD/IUPAC Name]
N-(4-fluorophenyl)-5-{1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl}-1,3,4-thiadiazole-2-carboxamide

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: 1.621
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.16
ACD/KOC (pH 5.5): 879.88
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.55
ACD/KOC (pH 7.4): 864.32
Polar Surface Area: 103 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement