ChemSpider 2D Image | N-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-4-piperidinecarboxamide | C25H23ClFN3O4S2

N-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-4-piperidinecarboxamide

  • Molecular FormulaC25H23ClFN3O4S2
  • Average mass548.049 Da
  • Monoisotopic mass547.080261 Da
  • ChemSpider ID39202048

More details:

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

4-Piperidinecarboxamide, N-(7-chloro-4-methyl-2-benzothiazolyl)-1-[(2-fluorophenyl)sulfonyl]-N-(2-furanylmethyl)- [ACD/Index Name]
N-(7-Chlor-4-methyl-1,3-benzothiazol-2-yl)-1-[(2-fluorphenyl)sulfonyl]-N-(2-furylmethyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(7-Chloro-4-methyl-1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)sulfonyl]-N-(2-furylmethyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(7-Chloro-4-méthyl-1,3-benzothiazol-2-yl)-1-[(2-fluorophényl)sulfonyl]-N-(2-furylméthyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(7-chloro-4-methylbenzo[d]thiazol-2-yl)-1-((2-fluorophenyl)sulfonyl)-N-(furan-2-ylmethyl)piperidine-4-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: 693.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.0±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: 5.40
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5570.55
ACD/KOC (pH 5.5): 16707.22
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5570.64
ACD/KOC (pH 7.4): 16707.50
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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