ChemSpider 2D Image | Ethyl 4-{[(3E)-3-({[(2-hydroxyethyl)amino](oxo)acetyl}hydrazono)butanoyl]amino}benzoate | C17H22N4O6

Ethyl 4-{[(3E)-3-({[(2-hydroxyethyl)amino](oxo)acetyl}hydrazono)butanoyl]amino}benzoate

  • Molecular FormulaC17H22N4O6
  • Average mass378.380 Da
  • Monoisotopic mass378.153931 Da
  • ChemSpider ID22996681

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(3E)-3-({2-[(2-Hydroxyéthyl)amino]-2-oxoacétyl}hydrazono)butanoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(3E)-3-[2-[2-[(2-hydroxyethyl)amino]-1,2-dioxoethyl]hydrazinylidene]-1-oxobutyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(3E)-3-({[(2-hydroxyethyl)amino](oxo)acetyl}hydrazono)butanoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(3E)-3-({[(2-hydroxyethyl)amino](oxo)acetyl}hydrazono)butanoyl]amino}benzoat [German] [ACD/IUPAC Name]
ethyl 4-((3E)-4-{[N-(2-hydroxyethyl)carbamoyl]carbonylamino}-3-methyl-4-azabut-3-enoylamino)benzoate
ETHYL 4-[(3E)-3-({[(2-HYDROXYETHYL)CARBAMOYL]FORMAMIDO}IMINO)BUTANAMIDO]BENZOATE
ethyl 4-{[(3E)-3-(2-{[(2-hydroxyethyl)amino](oxo)acetyl}hydrazinylidene)butanoyl]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: 1.581
Molar Refractivity: 95.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.82
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.71
Polar Surface Area: 146 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 287.7±7.0 cm3

Click to predict properties on the Chemicalize site


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