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Search term: ZCSSJYPRRQDAMR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[3-Cyano-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-4-piperidinecarboxylic acid | C23H17F4N5O3S

1-[3-Cyano-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-4-piperidinecarboxylic acid

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID23335669

More details:

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

1-[3-Cyan-5-({4-[2-fluor-3-(trifluormethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[3-Cyano-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[3-cyano-5-[[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-thiazolyl]amino]carbonyl]-2-pyridinyl]- [ACD/Index Name]
Acide 1-[3-cyano-5-({4-[2-fluoro-3-(trifluorométhyl)phényl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-(3-cyano-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
1-[3-cyano-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)pyridin-2-yl]piperidine-4-carboxylic acid
CHEMBL461975
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461975/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 4.94
ACD/KOC (pH 5.5): 30.25
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

Click to predict properties on the Chemicalize site


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