ChemSpider 2D Image | 1-[4-(Difluoromethoxy)phenyl]-5-methyl-N,N-bis(2-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide | C21H18F2N4O2S2

1-[4-(Difluoromethoxy)phenyl]-5-methyl-N,N-bis(2-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC21H18F2N4O2S2
  • Average mass460.520 Da
  • Monoisotopic mass460.083923 Da
  • ChemSpider ID31863863

More details:

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

1-[4-(Difluormethoxy)phenyl]-5-methyl-N,N-bis(2-thienylmethyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-[4-(Difluoromethoxy)phenyl]-5-methyl-N,N-bis(2-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-[4-(Difluorométhoxy)phényl]-5-méthyl-N,N-bis(2-thiénylméthyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[4-(difluoromethoxy)phenyl]-5-methyl-N,N-bis(2-thienylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 284.17
ACD/KOC (pH 5.5): 1985.53
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.17
ACD/KOC (pH 7.4): 1985.53
Polar Surface Area: 117 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 325.1±7.0 cm3

Click to predict properties on the Chemicalize site


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