ChemSpider 2D Image | Nalpha-(Methoxycarbonyl)-N-{(1S)-2-[4-(sulfoamino)phenyl]-1-[4-(2-thienyl)-1,3-thiazol-2-yl]ethyl}-L-phenylalaninamide | C26H26N4O6S3

Nα-(Methoxycarbonyl)-N-{(1S)-2-[4-(sulfoamino)phenyl]-1-[4-(2-thienyl)-1,3-thiazol-2-yl]ethyl}-L-phenylalaninamide

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID76819742

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-oxo-1-(phenylmethyl)-2-[[(1S)-2-[4-(sulfoamino)phenyl]-1-[4-(2-thienyl)-2-thiazolyl]ethyl]amino]ethyl]-, methyl ester [ACD/Index Name]
Nα-(Methoxycarbonyl)-N-{(1S)-2-[4-(sulfoamino)phenyl]-1-[4-(2-thienyl)-1,3-thiazol-2-yl]ethyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(Methoxycarbonyl)-N-{(1S)-2-[4-(sulfoamino)phenyl]-1-[4-(2-thienyl)-1,3-thiazol-2-yl]ethyl}-L-phenylalaninamide [ACD/IUPAC Name]
Nα-(Méthoxycarbonyl)-N-{(1S)-2-[4-(sulfoamino)phényl]-1-[4-(2-thiényl)-1,3-thiazol-2-yl]éthyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 404.5±3.0 cm3

Click to predict properties on the Chemicalize site


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