ChemSpider 2D Image | Nalpha-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(1E,3S)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]-L-phenylalaninamide | C32H38N4O4S

Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(1E,3S)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]-L-phenylalaninamide

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID34890332

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxamide, 4-methyl-N-[(1S)-2-oxo-2-[[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl]amino]-1-(phenylmethyl)ethyl]- [ACD/Index Name]
Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(1E,3S)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(1E,3S)-5-phenyl-1-(phenylsulfonyl)-1-penten-3-yl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(4-Méthyl-1-pipérazinyl)carbonyl]-N-[(1E,3S)-5-phényl-1-(phénylsulfonyl)-1-pentén-3-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-
1-Piperazinecarboxamide, 4-methyl-N-[(1S)-2-oxo-2-[[(1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl]amino]-1-(phenylmethyl)ethyl]-
233277-99-1 [RN]
502960-90-9 [RN]
CHEMBL91704
K777
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 861.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 474.5±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 12.64
ACD/KOC (pH 5.5): 69.22
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 397.85
ACD/KOC (pH 7.4): 2178.98
Polar Surface Area: 107 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 472.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement