ChemSpider 2D Image | 3-Methyl-N-{1-[(5-methyl-2-thienyl)sulfonyl]-3-pyrrolidinyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide | C17H19N3O6S3

3-Methyl-N-{1-[(5-methyl-2-thienyl)sulfonyl]-3-pyrrolidinyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

  • Molecular FormulaC17H19N3O6S3
  • Average mass457.544 Da
  • Monoisotopic mass457.043610 Da
  • ChemSpider ID66497759

More details:

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

3-Methyl-N-{1-[(5-methyl-2-thienyl)sulfonyl]-3-pyrrolidinyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-6-sulfonamid [German] [ACD/IUPAC Name]
3-Methyl-N-{1-[(5-methyl-2-thienyl)sulfonyl]-3-pyrrolidinyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [ACD/IUPAC Name]
3-Méthyl-N-{1-[(5-méthyl-2-thiényl)sulfonyl]-3-pyrrolidinyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide [French] [ACD/IUPAC Name]
6-Benzoxazolesulfonamide, 2,3-dihydro-3-methyl-N-[1-[(5-methyl-2-thienyl)sulfonyl]-3-pyrrolidinyl]-2-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.51
ACD/KOC (pH 5.5): 281.12
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.49
ACD/KOC (pH 7.4): 280.82
Polar Surface Area: 158 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

Click to predict properties on the Chemicalize site


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