ChemSpider 2D Image | N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-3-piperidinecarboxamide | C25H23ClFN3O4S2

N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-3-piperidinecarboxamide

  • Molecular FormulaC25H23ClFN3O4S2
  • Average mass548.049 Da
  • Monoisotopic mass547.080261 Da
  • ChemSpider ID20921169

More details:

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

3-Piperidinecarboxamide, N-(6-chloro-4-methyl-2-benzothiazolyl)-1-[(4-fluorophenyl)sulfonyl]-N-(2-furanylmethyl)- [ACD/Index Name]
N-(6-Chlor-4-methyl-1,3-benzothiazol-2-yl)-1-[(4-fluorphenyl)sulfonyl]-N-(2-furylmethyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(6-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
N-(6-Chloro-4-méthyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophényl)sulfonyl]-N-(2-furylméthyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(6-chloro-4-methylbenzo[d]thiazol-2-yl)-1-((4-fluorophenyl)sulfonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 689.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8075.93
ACD/KOC (pH 5.5): 21794.67
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8076.48
ACD/KOC (pH 7.4): 21796.15
Polar Surface Area: 120 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 374.7±3.0 cm3

Click to predict properties on the Chemicalize site


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