ChemSpider 2D Image | 3-[2-({1-[4-(4,9-Diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-3-methylbenzyl]cyclopropyl}amino)-2-oxoethyl]-4-methoxybenzoic acid | C37H38N2O7

3-[2-({1-[4-(4,9-Diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-3-methylbenzyl]cyclopropyl}amino)-2-oxoethyl]-4-methoxybenzoic acid

  • Molecular FormulaC37H38N2O7
  • Average mass622.707 Da
  • Monoisotopic mass622.267883 Da
  • ChemSpider ID26387570

More details:

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

3-[2-({1-[4-(4,9-Diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-3-methylbenzyl]cyclopropyl}amino)-2-oxoethyl]-4-methoxybenzoesäure [German] [ACD/IUPAC Name]
3-[2-({1-[4-(4,9-Diethoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-3-methylbenzyl]cyclopropyl}amino)-2-oxoethyl]-4-methoxybenzoic acid [ACD/IUPAC Name]
Acide 3-[2-({1-[4-(4,9-diéthoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)-3-méthylbenzyl]cyclopropyl}amino)-2-oxoéthyl]-4-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-[[1-[[4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-3-methylphenyl]methyl]cyclopropyl]amino]-2-oxoethyl]-4-methoxy- [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: 890.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.3±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 1771.60
ACD/KOC (pH 5.5): 3347.49
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 47.33
ACD/KOC (pH 7.4): 89.44
Polar Surface Area: 114 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 464.3±5.0 cm3

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