ChemSpider 2D Image | N-({5-[(1-Anilino-1-oxo-2-butanyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzamide | C26H24ClN5O2S

N-({5-[(1-Anilino-1-oxo-2-butanyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzamide

  • Molecular FormulaC26H24ClN5O2S
  • Average mass506.019 Da
  • Monoisotopic mass505.133911 Da
  • ChemSpider ID2256262

More details:

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

Benzamide, 4-chloro-N-[[4-phenyl-5-[[1-[(phenylamino)carbonyl]propyl]thio]-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
N-({5-[(1-Anilino-1-oxo-2-butanyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-chlorbenzamid [German] [ACD/IUPAC Name]
N-({5-[(1-Anilino-1-oxo-2-butanyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzamide [ACD/IUPAC Name]
N-({5-[(1-Anilino-1-oxo-2-butanyl)sulfanyl]-4-phényl-4H-1,2,4-triazol-3-yl}méthyl)-4-chlorobenzamide [French] [ACD/IUPAC Name]
N-({5-[(1-Anilino-1-oxobutan-2-yl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-4-chlorobenzamide
4-chloro-N-[(4-phenyl-5-{[1-(phenylcarbamoyl)propyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
4-chloro-N-[(5-{[1-oxo-1-(phenylamino)butan-2-yl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[(5-{[1-(anilinocarbonyl)propyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzamide
N-[(5-{[1-(anilinocarbonyl)propyl]thio}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzamide

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: 1.664
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4041.34
ACD/KOC (pH 5.5): 13278.29
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4041.39
ACD/KOC (pH 7.4): 13278.44
Polar Surface Area: 114 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 383.7±7.0 cm3

Click to predict properties on the Chemicalize site


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