ChemSpider 2D Image | N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine | C26H31F3N4O4S

N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID26374877

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Valine, N-[4-[[[[(2R)-3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]carbonyl]amino]methyl]phenyl]- [ACD/Index Name]
N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine [ACD/IUPAC Name]
N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]méthyl}phényl)-D-valine [French] [ACD/IUPAC Name]
N-(4-{[({(2R)-3-[(3R)-3-Amino-4-(2,4,5-trifluorphenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valin [German] [ACD/IUPAC 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: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.8±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 402.5±3.0 cm3

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