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Search term: FFDGBYCTZXREGP-VWLOTQADSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6S)-4-(4-Methylphenyl)-N-(1,2-oxazol-5-yl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-6-(trifluoromethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxamide | C27H23F6N3O4

(6S)-4-(4-Methylphenyl)-N-(1,2-oxazol-5-yl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-6-(trifluoromethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxamide

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID30839394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-4-(4-Methylphenyl)-N-(1,2-oxazol-5-yl)-2-oxo-6-[4-(4,4,4-trifluorbutoxy)phenyl]-6-(trifluormethyl)-1,2,5,6-tetrahydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
(6S)-4-(4-Methylphenyl)-N-(1,2-oxazol-5-yl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-6-(trifluoromethyl)-1,2,5,6-tetrahydro-3-pyridinecarboxamide [ACD/IUPAC Name]
(6S)-4-(4-Méthylphényl)-N-(1,2-oxazol-5-yl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phényl]-6-(trifluorométhyl)-1,2,5,6-tétrahydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
3-Pyridinecarboxamide, 1,2,5,6-tetrahydro-N-5-isoxazolyl-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-6-(trifluoromethyl)-, (6S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2059.61
ACD/KOC (pH 5.5): 8196.00
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2057.78
ACD/KOC (pH 7.4): 8188.74
Polar Surface Area: 93 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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