ChemSpider 2D Image | 5-[(3-{3-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one | C30H33N5O4S2

5-[(3-{3-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one

  • Molecular FormulaC30H33N5O4S2
  • Average mass591.744 Da
  • Monoisotopic mass591.197388 Da
  • ChemSpider ID3888643

More details:

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

4(5H)-Thiazolone, 5-[[3-[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-2-(4-morpholinyl)- [ACD/Index Name]
5-[(3-{3-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylen]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
5-[(3-{3-[(3,5-Dimethyl-1-piperidinyl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
5-[(3-{3-[(3,5-Diméthyl-1-pipéridinyl)sulfonyl]phényl}-1-phényl-1H-pyrazol-4-yl)méthylène]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 776.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.5±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 162.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1018.98
ACD/KOC (pH 5.5): 4952.75
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1018.98
ACD/KOC (pH 7.4): 4952.75
Polar Surface Area: 131 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 422.2±7.0 cm3

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