ChemSpider 2D Image | N-(5-Fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-hydroxy-3-(trifluoromethyl)-1-pyrrolidinecarboxamide | C14H13F4N3O2S

N-(5-Fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-hydroxy-3-(trifluoromethyl)-1-pyrrolidinecarboxamide

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID77996324

More details:






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

1-Pyrrolidinecarboxamide, N-(5-fluoro-6-methyl-2-benzothiazolyl)-3-hydroxy-3-(trifluoromethyl)- [ACD/Index Name]
N-(5-Fluor-6-methyl-1,3-benzothiazol-2-yl)-3-hydroxy-3-(trifluormethyl)-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(5-Fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-hydroxy-3-(trifluoromethyl)-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(5-Fluoro-6-méthyl-1,3-benzothiazol-2-yl)-3-hydroxy-3-(trifluorométhyl)-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.64
ACD/KOC (pH 5.5): 552.50
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 38.95
ACD/KOC (pH 7.4): 451.66
Polar Surface Area: 94 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site






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