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Search term: CKUZRSZSEGTVJO-MRVPVSSYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[3-Chloro-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-D-alanine | C19H13ClF4N4O3S

N-[3-Chloro-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-D-alanine

  • Molecular FormulaC19H13ClF4N4O3S
  • Average mass488.843 Da
  • Monoisotopic mass488.033295 Da
  • ChemSpider ID23335430

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Alanine, N-[3-chloro-5-[[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-thiazolyl]amino]carbonyl]-2-pyridinyl]- [ACD/Index Name]
N-[3-Chlor-5-({4-[2-fluor-3-(trifluormethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-D-alanin [German] [ACD/IUPAC Name]
N-[3-Chloro-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-D-alanine [ACD/IUPAC Name]
N-[3-Chloro-5-({4-[2-fluoro-3-(trifluorométhyl)phényl]-1,3-thiazol-2-yl}carbamoyl)-2-pyridinyl]-D-alanine [French] [ACD/IUPAC Name]
(R)-2-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-ylamino)propanoic acid
CHEMBL524116
N-[3-chloro-5-({4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}carbamoyl)pyridin-2-yl]-D-alanine

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: 1.638
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 6.64
ACD/KOC (pH 5.5): 27.83
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site


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