ChemSpider 2D Image | 3-{(1,1-Dioxidotetrahydro-3-thiophenyl)[3-(4-morpholinyl)propyl]sulfamoyl}-4-methylbenzoic acid | C19H28N2O7S2

3-{(1,1-Dioxidotetrahydro-3-thiophenyl)[3-(4-morpholinyl)propyl]sulfamoyl}-4-methylbenzoic acid

  • Molecular FormulaC19H28N2O7S2
  • Average mass460.565 Da
  • Monoisotopic mass460.133789 Da
  • ChemSpider ID57255410

More details:

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

3-{(1,1-Dioxidotetrahydro-3-thiophenyl)[3-(4-morpholinyl)propyl]sulfamoyl}-4-methylbenzoesäure [German] [ACD/IUPAC Name]
3-{(1,1-Dioxidotetrahydro-3-thiophenyl)[3-(4-morpholinyl)propyl]sulfamoyl}-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-{(1,1-dioxydotétrahydro-3-thiophényl)[3-(4-morpholinyl)propyl]sulfamoyl}-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-3-[[[3-(4-morpholinyl)propyl](tetrahydro-1,1-dioxido-3-thienyl)amino]sulfonyl]- [ACD/Index Name]
3-{[(1,1-dioxidotetrahydro-3-thienyl)(3-morpholin-4-ylpropyl)amino]sulfonyl}-4-methylbenzoic acid
MFCD29909110

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.4±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 316.6±5.0 cm3

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