ChemSpider 2D Image | N-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide | C16H18N2O4S2

N-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

  • Molecular FormulaC16H18N2O4S2
  • Average mass366.455 Da
  • Monoisotopic mass366.070801 Da
  • ChemSpider ID35034935
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Thiazolecarboxamide, 2-[(4-methylphenoxy)methyl]-N-[(3S)-tetrahydro-1,1-dioxido-3-thienyl]- [ACD/Index Name]
N-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
N-[(3S)-1,1-Dioxydotétrahydro-3-thiophényl]-2-[(4-méthylphénoxy)méthyl]-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
2U9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.16
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.32
ACD/KOC (pH 7.4): 82.16
Polar Surface Area: 122 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 258.9±5.0 cm3

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