ChemSpider 2D Image | N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phenyl-3-pentanyl}-Nalpha-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalaninamide | C33H43N5O5S

N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phenyl-3-pentanyl}-Nα-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalaninamide

  • Molecular FormulaC33H43N5O5S
  • Average mass621.790 Da
  • Monoisotopic mass621.298462 Da
  • ChemSpider ID4451500

  • 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-[[(phenylmethoxy)amino]sulfonyl]ethyl]propyl]amino]ethyl]- [ACD/Index Name]
N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phenyl-3-pentanyl}-Nα-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phenyl-3-pentanyl}-Nα-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phényl-3-pentanyl}-Nα-[(4-méthyl-1-pipérazinyl)carbonyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE
VS4

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 173.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 8.66
ACD/KOC (pH 5.5): 51.59
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 37.10
ACD/KOC (pH 7.4): 220.89
Polar Surface Area: 128 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 505.7±3.0 cm3

Click to predict properties on the Chemicalize site


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