ChemSpider 2D Image | N-(4-Chloro-3-methyl-2,3-dihydro-1,3-oxazol-5-yl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thiophenesulfonamide | C18H17ClN2O6S2

N-(4-Chloro-3-methyl-2,3-dihydro-1,3-oxazol-5-yl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thiophenesulfonamide

  • Molecular FormulaC18H17ClN2O6S2
  • Average mass456.920 Da
  • Monoisotopic mass456.021667 Da
  • ChemSpider ID21106381

More details:

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

3-Thiophenesulfonamide, N-(4-chloro-2,3-dihydro-3-methyl-5-oxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]- [ACD/Index Name]
N-(4-Chlor-3-methyl-2,3-dihydro-1,3-oxazol-5-yl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thiophensulfonamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-methyl-2,3-dihydro-1,3-oxazol-5-yl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thiophenesulfonamide [ACD/IUPAC Name]
N-(4-Chloro-3-méthyl-2,3-dihydro-1,3-oxazol-5-yl)-2-[2-(6-méthyl-1,3-benzodioxol-5-yl)acétyl]-3-thiophènesulfonamide [French] [ACD/IUPAC Name]
210421-64-0 [RN]
N-(4-Chloro-3-methyl-2,3-dihydrooxazol-5-yl)-2-(2-(6-methylbenzo[d][1,3]dioxol-5-yl)acetyl)thiophene-3-sulfonamide
N-(4-chloro-3-methyl-oxazol-5-yl)-2-[2-(6-methylbenzo[1,3]dioxol-5-yl)acetyl]thiophene-3-sulfonamide
sitaxentan [INN] [USAN] [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 600.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.93
ACD/KOC (pH 5.5): 487.34
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.56
ACD/KOC (pH 7.4): 482.75
Polar Surface Area: 131 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 284.6±5.0 cm3

Click to predict properties on the Chemicalize site


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