ChemSpider 2D Image | Ethyl 4-({[(4-allyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate | C26H29N5O4S

Ethyl 4-({[(4-allyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID2241631

More details:

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

4-({2-[(4-Allyl-5-{2-[(2,4-diméthylphényl)amino]-2-oxoéthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[5-[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[(4-allyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[(4-allyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
4-(2-{4-Allyl-5-[(2,4-dimethyl-phenylcarbamoyl)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetylamino)-benzoic acid ethyl ester
ethyl 4-({[(4-allyl-5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate
ethyl 4-[({[5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

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: 1.620
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1337.26
ACD/KOC (pH 5.5): 6016.14
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1337.54
ACD/KOC (pH 7.4): 6017.38
Polar Surface Area: 141 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 404.1±7.0 cm3

Click to predict properties on the Chemicalize site


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