ChemSpider 2D Image | N-[(4-Chlorobenzyl)sulfonyl]-D-seryl-N-{4-[(diaminomethylene)amino]benzyl}-N~2~-methyl-L-alaninamide | C22H29ClN6O5S

N-[(4-Chlorobenzyl)sulfonyl]-D-seryl-N-{4-[(diaminomethylene)amino]benzyl}-N2-methyl-L-alaninamide

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID8371725

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-[[(4-chlorophenyl)methyl]sulfonyl]-D-seryl-N-[[4-[(diaminomethylene)amino]phenyl]methyl]-N2-methyl- [ACD/Index Name]
N-[(4-Chlorbenzyl)sulfonyl]-D-seryl-N-{4-[(diaminomethylen)amino]benzyl}-N2-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-[(4-Chlorobenzyl)sulfonyl]-D-seryl-N-{4-[(diaminomethylene)amino]benzyl}-N2-methyl-L-alaninamide [ACD/IUPAC Name]
N-[(4-Chlorobenzyl)sulfonyl]-D-séryl-N-{4-[(diaminométhylène)amino]benzyl}-N2-méthyl-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 367.5±7.0 cm3

Click to predict properties on the Chemicalize site


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