ChemSpider 2D Image | 1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-4-piperidinecarboxamide | C28H29ClFN3O4S

1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-4-piperidinecarboxamide

  • Molecular FormulaC28H29ClFN3O4S
  • Average mass558.064 Da
  • Monoisotopic mass557.155151 Da
  • ChemSpider ID68316493

More details:

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

1-[(2-Chlor-6-fluorbenzyl)sulfonyl]-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-N-{2-[(2-phenylethyl)carbamoyl]phenyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[(2-Chloro-6-fluorobenzyl)sulfonyl]-N-{2-[(2-phényléthyl)carbamoyl]phényl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[(2-chloro-6-fluorophenyl)methyl]sulfonyl]-N-[2-[[(2-phenylethyl)amino]carbonyl]phenyl]- [ACD/Index Name]
1-[(2-CHLORO-6-FLUOROPHENYL)METHANESULFONYL]-N-{2-[(2-PHENYLETHYL)CARBAMOYL]PHENYL}PIPERIDINE-4-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1879.41
ACD/KOC (pH 5.5): 7676.12
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1879.41
ACD/KOC (pH 7.4): 7676.12
Polar Surface Area: 104 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


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