ChemSpider 2D Image | 2-(5-{[2-({2-Hydroxy-3-[methyl(2-thienylsulfonyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid | C25H30N4O9S2

2-(5-{[2-({2-Hydroxy-3-[methyl(2-thienylsulfonyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

  • Molecular FormulaC25H30N4O9S2
  • Average mass594.657 Da
  • Monoisotopic mass594.145447 Da
  • ChemSpider ID121041442

More details:

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

2-(5-{[2-({2-Hydroxy-3-[methyl(2-thienylsulfonyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid [ACD/IUPAC Name]
2-(5-{[2-({2-Hydroxy-3-[methyl(2-thienylsulfonyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1,3-dihydro-5-[[[2-[[2-hydroxy-3-[methyl(2-thienylsulfonyl)amino]propyl]amino]-2-oxoethyl]amino]carbonyl]-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-(5-{[2-({2-hydroxy-3-[méthyl(2-thiénylsulfonyl)amino]propyl}amino)-2-oxoéthyl]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: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 408.8±3.0 cm3

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