ChemSpider 2D Image | Nalpha-({(2S,4R)-4-[(4-Fluorobenzyl)oxy]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}carbonyl)-D-phenylalaninamide | C27H29FN4O4S

Nα-({(2S,4R)-4-[(4-Fluorobenzyl)oxy]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}carbonyl)-D-phenylalaninamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID21388577

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Piperidinecarboxamide, N-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-4-[(4-fluorophenyl)methoxy]-1-[(2-methyl-4-thiazolyl)carbonyl]-, (2S,4R)- [ACD/Index Name]
Nα-({(2S,4R)-4-[(4-Fluorbenzyl)oxy]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}carbonyl)-D-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-({(2S,4R)-4-[(4-Fluorobenzyl)oxy]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-2-piperidinyl}carbonyl)-D-phenylalaninamide [ACD/IUPAC Name]
Nα-({(2S,4R)-4-[(4-Fluorobenzyl)oxy]-1-[(2-méthyl-1,3-thiazol-4-yl)carbonyl]-2-pipéridinyl}carbonyl)-D-phénylalaninamide [French] [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: 794.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 434.4±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.79
ACD/KOC (pH 5.5): 468.42
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.80
ACD/KOC (pH 7.4): 468.55
Polar Surface Area: 143 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 388.7±5.0 cm3

Click to predict properties on the Chemicalize site


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