Found 1 result

Search term: KXDHHOHONIXTFW-SVBPBHIXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(4-Methylphenyl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-piperazinyl]-L-phenylalanine | C30H35N5O5S

1-[(4-Methylphenyl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-piperazinyl]-L-phenylalanine

  • Molecular FormulaC30H35N5O5S
  • Average mass577.694 Da
  • Monoisotopic mass577.235901 Da
  • ChemSpider ID23312222

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4-Methylphenyl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-piperazinyl]-L-phenylalanin [German] [ACD/IUPAC Name]
1-[(4-Methylphenyl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-piperazinyl]-L-phenylalanine [ACD/IUPAC Name]
1-[(4-Méthylphényl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-pipérazinyl]-L-phénylalanine [French] [ACD/IUPAC Name]
1-[(4-methylphenyl)sulfonyl]-L-prolyl-4-[4-(pyridin-2-yl)piperazin-1-yl]-L-phenylalanine
L-Phenylalanine, 1-[(4-methylphenyl)sulfonyl]-L-prolyl-4-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
(S)-3-(4-(4-(pyridin-2-yl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
CHEMBL254139

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 132 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

Click to predict properties on the Chemicalize site


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