ChemSpider 2D Image | Nalpha-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamide | C32H40N4O4S

Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamide

  • Molecular FormulaC32H40N4O4S
  • Average mass576.749 Da
  • Monoisotopic mass576.277039 Da
  • ChemSpider ID26325275

  • 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-1-(phenylmethyl)-2-[[(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl]amino]ethyl]- [ACD/Index Name]
Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(4-Methyl-1-piperazinyl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)-3-pentanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(4-Méthyl-1-pipérazinyl)carbonyl]-N-[(3S)-1-phényl-5-(phénylsulfonyl)-3-pentanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-[(4-Methylpiperazin-1-Yl)carbonyl]-N-[(3s)-1-Phenyl-5-(Phenylsulfonyl)pentan-3-Yl]-L-Phenylalaninamide
0IW
K777

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

Density: 1.2±0.1 g/cm3
Boiling Point: 857.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.3±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 8.41
ACD/KOC (pH 5.5): 51.60
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 265.68
ACD/KOC (pH 7.4): 1630.69
Polar Surface Area: 107 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 478.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement