ChemSpider 2D Image | 2-{1,3-Dioxo-5-[(1-oxo-1-{[3-(4-sulfamoylphenyl)propyl]amino}-2-propanyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid | C27H32N4O8S

2-{1,3-Dioxo-5-[(1-oxo-1-{[3-(4-sulfamoylphenyl)propyl]amino}-2-propanyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID121045208

More details:

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

2-{1,3-Dioxo-5-[(1-oxo-1-{[3-(4-sulfamoylphenyl)propyl]amino}-2-propanyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentanoic acid [ACD/IUPAC Name]
2-{1,3-Dioxo-5-[(1-oxo-1-{[3-(4-sulfamoylphenyl)propyl]amino}-2-propanyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}-4-methylpentansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[3-[4-(aminosulfonyl)phenyl]propyl]amino]-1-methyl-2-oxoethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-{1,3-dioxo-5-[(1-oxo-1-{[3-(4-sulfamoylphényl)propyl]amino}-2-propanyl)carbamoyl]-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 418.1±3.0 cm3

Click to predict properties on the Chemicalize site


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