ChemSpider 2D Image | Ethyl 4-acetyl-2-[(2-{3-amino-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}butanoyl)amino]-5-methyl-3-furoate | C18H22N6O5S

Ethyl 4-acetyl-2-[(2-{3-amino-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}butanoyl)amino]-5-methyl-3-furoate

  • Molecular FormulaC18H22N6O5S
  • Average mass434.470 Da
  • Monoisotopic mass434.137238 Da
  • ChemSpider ID23398548

More details:

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

3-Furancarboxylic acid, 4-acetyl-2-[[2-[3-amino-5-[(cyanomethyl)thio]-4H-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-5-methyl-, ethyl ester [ACD/Index Name]
4-Acétyl-2-[(2-{3-amino-5-[(cyanométhyl)sulfanyl]-4H-1,2,4-triazol-4-yl}butanoyl)amino]-5-méthyl-3-furoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-acetyl-2-[(2-{3-amino-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}butanoyl)amino]-5-methyl-3-furoate [ACD/IUPAC Name]
Ethyl-4-acetyl-2-[(2-{3-amino-5-[(cyanmethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}butanoyl)amino]-5-methyl-3-furoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.91
ACD/KOC (pH 5.5): 296.10
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.90
ACD/KOC (pH 7.4): 295.96
Polar Surface Area: 191 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 299.5±7.0 cm3

Click to predict properties on the Chemicalize site


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