ChemSpider 2D Image | 1-{[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}-4-piperidinecarboxylic acid | C17H22ClN3O5S2

1-{[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}-4-piperidinecarboxylic acid

  • Molecular FormulaC17H22ClN3O5S2
  • Average mass447.957 Da
  • Monoisotopic mass447.068939 Da
  • ChemSpider ID60462733

More details:

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

1-{[2-Chlor-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{[2-Chloro-5-(4-morpholinylsulfonyl)phenyl]carbamothioyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino]thioxomethyl]- [ACD/Index Name]
Acide 1-{[2-chloro-5-(4-morpholinylsulfonyl)phényl]carbamothioyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.9±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.58
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 294.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement