ChemSpider 2D Image | Methyl 4-[(E)-({4-amino-5-[(2-oxo-2-{[3-(2-oxo-1-pyrrolidinyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate | C23H24N8O4S

Methyl 4-[(E)-({4-amino-5-[(2-oxo-2-{[3-(2-oxo-1-pyrrolidinyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate

  • Molecular FormulaC23H24N8O4S
  • Average mass508.553 Da
  • Monoisotopic mass508.164124 Da
  • ChemSpider ID62429124

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-({4-Amino-5-[(2-oxo-2-{[3-(2-oxo-1-pyrrolidinyl)phényl]amino}éthyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-[2-[4-amino-5-[[2-oxo-2-[[3-(2-oxo-1-pyrrolidinyl)phenyl]amino]ethyl]thio]-4H-1,2,4-triazol-3-yl]hydrazinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(E)-({4-amino-5-[(2-oxo-2-{[3-(2-oxo-1-pyrrolidinyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(E)-({4-amino-5-[(2-oxo-2-{[3-(2-oxo-1-pyrrolidinyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoat [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: 1.719
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.10
ACD/KOC (pH 5.5): 416.37
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.04
ACD/KOC (pH 7.4): 415.66
Polar Surface Area: 182 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

Click to predict properties on the Chemicalize site


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