ChemSpider 2D Image | O-Methyl-Nalpha-{[(2R)-1-(methylsulfonyl)-4-(phenylsulfonyl)-2-piperazinyl]carbonyl}-L-tyrosinamide | C22H28N4O7S2

O-Methyl-Nα-{[(2R)-1-(methylsulfonyl)-4-(phenylsulfonyl)-2-piperazinyl]carbonyl}-L-tyrosinamide

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID5471697

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Piperazinecarboxamide, N-[(1S)-2-amino-1-[(4-methoxyphenyl)methyl]-2-oxoethyl]-1-(methylsulfonyl)-4-(phenylsulfonyl)-, (2R)- [ACD/Index Name]
O-Methyl-Nα-{[(2R)-1-(methylsulfonyl)-4-(phenylsulfonyl)-2-piperazinyl]carbonyl}-L-tyrosinamid [German] [ACD/IUPAC Name]
O-Methyl-Nα-{[(2R)-1-(methylsulfonyl)-4-(phenylsulfonyl)-2-piperazinyl]carbonyl}-L-tyrosinamide [ACD/IUPAC Name]
O-Méthyl-Nα-{[(2R)-1-(méthylsulfonyl)-4-(phénylsulfonyl)-2-pipérazinyl]carbonyl}-L-tyrosinamide [French] [ACD/IUPAC Name]

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

ZINC04200778 [DBID]

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: 1.651
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.99
ACD/KOC (pH 5.5): 109.90
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 109.89
Polar Surface Area: 173 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 357.1±5.0 cm3

Click to predict properties on the Chemicalize site


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