ChemSpider 2D Image | 2-(5-{[3-(Benzylsulfanyl)-1-{[2-(4-ethyl-1-piperazinyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid | C35H47N5O6S

2-(5-{[3-(Benzylsulfanyl)-1-{[2-(4-ethyl-1-piperazinyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID121059769

More details:

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

2-(5-{[3-(Benzylsulfanyl)-1-{[2-(4-ethyl-1-piperazinyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid [ACD/IUPAC Name]
2-(5-{[3-(Benzylsulfanyl)-1-{[2-(4-ethyl-1-piperazinyl)-2-methylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[2-(4-ethyl-1-piperazinyl)-2-methylpropyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-(5-{[3-(benzylsulfanyl)-1-{[2-(4-éthyl-1-pipérazinyl)-2-méthylpropyl]amino}-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-méthylpentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 863.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 476.1±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 181.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 6.95
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.36
Polar Surface Area: 165 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 533.9±3.0 cm3

Click to predict properties on the Chemicalize site


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