ChemSpider 2D Image | 2-(2,4-Dimethylphenyl)-N-{1-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide | C30H35N7O4S

2-(2,4-Dimethylphenyl)-N-{1-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC30H35N7O4S
  • Average mass589.708 Da
  • Monoisotopic mass589.247131 Da
  • ChemSpider ID122226381

More details:

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

1H-Isoindole-5-carboxamide, 2-(2,4-dimethylphenyl)-N-[1-[[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]carbonyl]-3-(methylthio)propyl]-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
2-(2,4-Dimethylphenyl)-N-{1-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
2-(2,4-Dimethylphenyl)-N-{1-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-(2,4-Diméthylphényl)-N-{1-[4-(4,5-diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-1,3-dioxo-5-isoindolinecarboxamide [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: 1.687
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 6.57
ACD/KOC (pH 5.5): 70.89
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 55.51
ACD/KOC (pH 7.4): 599.22
Polar Surface Area: 146 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 428.6±7.0 cm3

Click to predict properties on the Chemicalize site


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