ChemSpider 2D Image | N-(3,4-Dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide | C31H27FN4O4S

N-(3,4-Dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID21550118

More details:

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

Benzamide, N-(3,4-dimethoxyphenyl)-4-[[[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]
N-(3,4-Dimethoxyphenyl)-4-({[4-(2-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-4-({[4-(2-fluorophényl)-5-(3-méthoxyphényl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)benzamide [French] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-4-({[4-(2-fluorphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamid [German] [ACD/IUPAC 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: 1.629
Molar Refractivity: 157.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22911.58
ACD/KOC (pH 5.5): 45973.60
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22912.13
ACD/KOC (pH 7.4): 45974.71
Polar Surface Area: 113 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 444.7±7.0 cm3

Click to predict properties on the Chemicalize site


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