ChemSpider 2D Image | N-({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine | C21H17F3N2O4S

N-({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine

  • Molecular FormulaC21H17F3N2O4S
  • Average mass450.431 Da
  • Monoisotopic mass450.086121 Da
  • ChemSpider ID35034575
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tyrosine, N-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]carbonyl]- [ACD/Index Name]
N-({4-Methyl-2-[4-(trifluormethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine [ACD/IUPAC Name]
N-({4-Méthyl-2-[4-(trifluorométhyl)phényl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine [French] [ACD/IUPAC Name]
WEF

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.15
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

Click to predict properties on the Chemicalize site






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