ChemSpider 2D Image | (5Z)-2-(2,6-Dimethyl-4-morpholinyl)-5-({1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)-1,3-thiazol-4(5H)-one | C30H33N5O4S2

(5Z)-2-(2,6-Dimethyl-4-morpholinyl)-5-({1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)-1,3-thiazol-4(5H)-one

  • Molecular FormulaC30H33N5O4S2
  • Average mass591.744 Da
  • Monoisotopic mass591.197388 Da
  • ChemSpider ID11894234

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-2-(2,6-Dimethyl-4-morpholinyl)-5-({1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylen)-1,3-thiazol-4(5H)-on [German] [ACD/IUPAC Name]
(5Z)-2-(2,6-Dimethyl-4-morpholinyl)-5-({1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)-1,3-thiazol-4(5H)-one [ACD/IUPAC Name]
(5Z)-2-(2,6-Diméthyl-4-morpholinyl)-5-({1-phényl-3-[3-(1-pipéridinylsulfonyl)phényl]-1H-pyrazol-4-yl}méthylène)-1,3-thiazol-4(5H)-one [French] [ACD/IUPAC Name]
(5Z)-2-(2,6-Dimethylmorpholin-4-yl)-5-({1-phenyl-3-[3-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylene)-1,3-thiazol-4(5H)-one
4(5H)-Thiazolone, 2-(2,6-dimethyl-4-morpholinyl)-5-[[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazol-4-yl]methylene]-, (5Z)- [ACD/Index 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): 4.25
ACD/BCF (pH 5.5): 1003.07
ACD/KOC (pH 5.5): 4896.85
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1003.36
ACD/KOC (pH 7.4): 4898.27
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

Click to predict properties on the Chemicalize site


Advertisement