ChemSpider 2D Image | 2-({5-Butyl-4-[(E)-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide | C32H36ClN5O3S

2-({5-Butyl-4-[(E)-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide

  • Molecular FormulaC32H36ClN5O3S
  • Average mass606.178 Da
  • Monoisotopic mass605.222717 Da
  • ChemSpider ID125741973

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({5-Butyl-4-[(E)-{4-[(4-chlorbenzyl)oxy]-3-ethoxybenzyliden}amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-({5-Butyl-4-[(E)-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-({5-Butyl-4-[(E)-{4-[(4-chlorobenzyl)oxy]-3-éthoxybenzylidène}amino]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-diméthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-butyl-4-[[(1E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylene]amino]-4H-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 171.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 414959.09
ACD/KOC (pH 5.5): 365493.41
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 415160.06
ACD/KOC (pH 7.4): 365670.44
Polar Surface Area: 116 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 493.0±7.0 cm3

Click to predict properties on the Chemicalize site


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