ChemSpider 2D Image | 3-Amino-5-[2-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-5-chloro-4-(2-ethyl-2-methylhydrazino)-3,6-dioxo-1,4-cyclohexadien-1-yl]benzoic acid | C26H27ClN6O5

3-Amino-5-[2-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-5-chloro-4-(2-ethyl-2-methylhydrazino)-3,6-dioxo-1,4-cyclohexadien-1-yl]benzoic acid

  • Molecular FormulaC26H27ClN6O5
  • Average mass538.983 Da
  • Monoisotopic mass538.173157 Da
  • ChemSpider ID8384548

More details:

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

3-Amino-5-[2-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-5-chlor-4-(2-ethyl-2-methylhydrazino)-3,6-dioxo-1,4-cyclohexadien-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3-Amino-5-[2-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoethyl}-5-chloro-4-(2-ethyl-2-methylhydrazino)-3,6-dioxo-1,4-cyclohexadien-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3-amino-5-[2-{2-[(4-carbamimidoylbenzyl)amino]-2-oxoéthyl}-5-chloro-4-(2-éthyl-2-méthylhydrazino)-3,6-dioxo-1,4-cyclohexadién-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-5-[2-[2-[[[4-[(Z)-aminoiminomethyl]phenyl]methyl]amino]-2-oxoethyl]-5-chloro-4-(2-ethyl-2-methylhydrazinyl)-3,6-dioxo-1,4-cyclohexadien-1-yl]- [ACD/Index 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: 1.676
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 369.5±7.0 cm3

Click to predict properties on the Chemicalize site


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