ChemSpider 2D Image | 2-Benzyl-N-{1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide | C30H31ClN4O7S

2-Benzyl-N-{1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC30H31ClN4O7S
  • Average mass627.108 Da
  • Monoisotopic mass626.160217 Da
  • ChemSpider ID121088965

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[[3-[[(3-chlorophenyl)sulfonyl]methylamino]-2-hydroxypropyl]amino]carbonyl]propyl]-2,3-dihydro-1,3-dioxo-2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-N-{1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-Benzyl-N-{1-[(3-{[(3-chlorophényl)sulfonyl](méthyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide [French] [ACD/IUPAC Name]
2-Benzyl-N-{1-[(3-{[(3-chlorphenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolincarboxamid [German] [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: 1.638
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.85
ACD/KOC (pH 5.5): 1532.23
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.85
ACD/KOC (pH 7.4): 1532.22
Polar Surface Area: 162 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 446.3±3.0 cm3

Click to predict properties on the Chemicalize site


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