ChemSpider 2D Image | (5-{[1-{[2-(3-Chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid | C33H33ClN4O9

(5-{[1-{[2-(3-Chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid

  • Molecular FormulaC33H33ClN4O9
  • Average mass665.089 Da
  • Monoisotopic mass664.193604 Da
  • ChemSpider ID121075409

More details:

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

(5-{[1-{[2-(3-Chlorophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid [ACD/IUPAC Name]
(5-{[1-{[2-(3-Chlorphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}-3-(4-hydroxyphenyl)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)essigsäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[7-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]-11,11-dimethyl-1,4,9-trioxo-10-oxa-2,5,8-triazadodec-1-yl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
Acide (5-{[1-{[2-(3-chlorophényl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]amino}-3-(4-hydroxyphényl)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétique [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: 962.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 535.6±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 15.86
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 474.9±3.0 cm3

Click to predict properties on the Chemicalize site


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