ChemSpider 2D Image | 1-({4-[2-(4-Thiomorpholinyl)-1,3-thiazol-4-yl]phenyl}sulfonyl)azepane | C19H25N3O2S3

1-({4-[2-(4-Thiomorpholinyl)-1,3-thiazol-4-yl]phenyl}sulfonyl)azepane

  • Molecular FormulaC19H25N3O2S3
  • Average mass423.616 Da
  • Monoisotopic mass423.110901 Da
  • ChemSpider ID31774606

More details:

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

1-({4-[2-(4-Thiomorpholinyl)-1,3-thiazol-4-yl]phenyl}sulfonyl)azepan [German] [ACD/IUPAC Name]
1-({4-[2-(4-Thiomorpholinyl)-1,3-thiazol-4-yl]phenyl}sulfonyl)azepane [ACD/IUPAC Name]
1-({4-[2-(4-Thiomorpholinyl)-1,3-thiazol-4-yl]phényl}sulfonyl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-[[4-[2-(4-thiomorpholinyl)-4-thiazolyl]phenyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 225.41
ACD/KOC (pH 5.5): 1589.14
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.61
ACD/KOC (pH 7.4): 1935.94
Polar Surface Area: 115 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

Click to predict properties on the Chemicalize site


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