ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-ylmethyl)-N-[1-{[(3-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide | C33H32N4O8S

2-(1,3-Benzodioxol-5-ylmethyl)-N-[1-{[(3-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide

  • Molecular FormulaC33H32N4O8S
  • Average mass644.694 Da
  • Monoisotopic mass644.194092 Da
  • ChemSpider ID121010664

More details:

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

1H-Isoindole-5-carboxamide, 2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-N-[3-(methylthio)-1-[[[[2-oxo-3-(phenylmethyl)-5-oxazolidinyl]methyl]amino]carbonyl]propyl]-1,3-dioxo- [ACD/Index Name]
2-(1,3-Benzodioxol-5-ylmethyl)-N-[1-{[(3-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-1,3-dioxo-5-isoindolincarboxamid [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-ylmethyl)-N-[1-{[(3-benzyl-2-oxo-1,3-oxazolidin-5-yl)methyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]-1,3-dioxo-5-isoindolinecarboxamide [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-ylméthyl)-N-[1-{[(3-benzyl-2-oxo-1,3-oxazolidin-5-yl)méthyl]amino}-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: 958.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 533.6±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.76
ACD/KOC (pH 5.5): 1515.06
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.76
ACD/KOC (pH 7.4): 1515.05
Polar Surface Area: 169 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

Click to predict properties on the Chemicalize site


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