ChemSpider 2D Image | N-(2,6-Dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-L-phenylalanine | C24H19Cl2F3N2O4

N-(2,6-Dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-L-phenylalanine

  • Molecular FormulaC24H19Cl2F3N2O4
  • Average mass527.320 Da
  • Monoisotopic mass526.067383 Da
  • ChemSpider ID7982669

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-[1,2-dihydro-1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]- [ACD/Index Name]
N-(2,6-Dichlorbenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluormethyl)-1,2-dihydro-3-pyridinyl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinyl]-L-phenylalanine [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-4-[1,6-diméthyl-2-oxo-4-(trifluorométhyl)-1,2-dihydro-3-pyridinyl]-L-phénylalanine [French] [ACD/IUPAC Name]
N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine
0DU
RO 0505376
RO0505376
  • Miscellaneous

    • Chemical Class:

      An <stereo>L</stereo>-phenylalanine derivative that is <element>N</element>-(2,6-dichlorobenzoyl)-<stereo>L</stereo>-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dih ydropyridin-3-yl substituent at position 4 on the phenyl ring. ChEBI CHEBI:90591
      An L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dih; ydropyridin-3-yl substituent at position 4 on the p henyl ring. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90591
      An L-phenylalanine derivative that is N-(2,6-dichlorobenzoyl)-L-phenylalanine carrying an additional 1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl substituent at position 4 on the phe nyl ring. ChEBI CHEBI:90591

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 20.47
ACD/KOC (pH 5.5): 80.78
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 87 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 364.8±3.0 cm3

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