ChemSpider 2D Image | 2-(Diethylamino)ethyl 4-({[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl]carbonyl}amino)benzoate | C32H33N5O4

2-(Diethylamino)ethyl 4-({[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl]carbonyl}amino)benzoate

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID13148916

More details:

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

2-(Diethylamino)ethyl 4-({[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl]carbonyl}amino)benzoate [ACD/IUPAC Name]
2-(Diethylamino)ethyl-4-({[5-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
4-({[5-Méthyl-3-(4-méthylphényl)-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl]carbonyl}amino)benzoate de 2-(diéthylamino)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[4,5-dihydro-5-methyl-3-(4-methylphenyl)-4-oxo-3H-pyridazino[4,5-b]indol-1-yl]carbonyl]amino]-, 2-(diethylamino)ethyl ester [ACD/Index Name]

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: 1.638
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 6.01
ACD/KOC (pH 5.5): 17.66
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 101.97
ACD/KOC (pH 7.4): 299.62
Polar Surface Area: 96 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 440.9±7.0 cm3

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