ChemSpider 2D Image | 2-[5-({3-(4-Acetoxyphenyl)-1-oxo-1-[(6-quinoxalinylmethyl)amino]-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid | C32H27N5O8

2-[5-({3-(4-Acetoxyphenyl)-1-oxo-1-[(6-quinoxalinylmethyl)amino]-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid

  • Molecular FormulaC32H27N5O8
  • Average mass609.586 Da
  • Monoisotopic mass609.185974 Da
  • ChemSpider ID121032514

More details:

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

2-[5-({3-(4-Acetoxyphenyl)-1-[(6-chinoxalinylmethyl)amino]-1-oxo-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propansäure [German] [ACD/IUPAC Name]
2-[5-({3-(4-Acetoxyphenyl)-1-oxo-1-[(6-quinoxalinylmethyl)amino]-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[1-[[4-(acetyloxy)phenyl]methyl]-2-oxo-2-[(6-quinoxalinylmethyl)amino]ethyl]amino]carbonyl]-1,3-dihydro-α-methyl-1,3-dioxo- [ACD/Index Name]
Acide 2-[5-({3-(4-acétoxyphényl)-1-oxo-1-[(6-quinoxalinylméthyl)amino]-2-propanyl}carbamoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 934.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 518.9±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 425.1±3.0 cm3

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