ChemSpider 2D Image | Ethyl 4-chloro-3-[({[5-({[3-(2-chlorophenyl)acryloyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate | C25H25Cl2N5O4S

Ethyl 4-chloro-3-[({[5-({[3-(2-chlorophenyl)acryloyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

  • Molecular FormulaC25H25Cl2N5O4S
  • Average mass562.468 Da
  • Monoisotopic mass561.100403 Da
  • ChemSpider ID2877770

More details:

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

4-Chloro-3-[(2-{[5-({[3-(2-chlorophényl)acryloyl]amino}méthyl)-4-éthyl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[[2-[[5-[[[3-(2-chlorophenyl)-1-oxo-2-propen-1-yl]amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-chloro-3-[({[5-({[3-(2-chlorophenyl)acryloyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-chlor-3-[({[5-({[3-(2-chlorphenyl)acryloyl]amino}methyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1311.83
ACD/KOC (pH 5.5): 5934.31
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1311.78
ACD/KOC (pH 7.4): 5934.11
Polar Surface Area: 141 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 408.3±7.0 cm3

Click to predict properties on the Chemicalize site


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