ChemSpider 2D Image | WX-UK1 FREE BASE | C32H47N5O5S

WX-UK1 FREE BASE

  • Molecular FormulaC32H47N5O5S
  • Average mass613.811 Da
  • Monoisotopic mass613.329773 Da
  • ChemSpider ID8070861

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(2S)-3-[3-(aminoiminomethyl)phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester [ACD/Index Name]
220355-63-5 [RN]
4-{3-Carbamimidoyl-N-[(2,4,6-triisopropylphényl)sulfonyl]-L-phénylalanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 4-(3-carbamimidoyl-N-{[2,4,6-tri(propan-2-yl)phenyl]sulfonyl}-L-phenylalanyl)piperazine-1-carboxylate
Ethyl 4-{3-carbamimidoyl-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-carbamimidoyl-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
WX-UK1 FREE BASE
4-[(2S)-3-(3-amidinophenyl)-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylic acid ethyl ester
4-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-2-[(2,4,6-triisopropylphenyl)sulfonylamino]propyl]-1-piperazinecarboxylic acid ethyl ester
4-[(S)-3-(3-carbamimidoyl-phenyl)-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propionyl]-piperazine-1-carboxylic acid ethyl ester
More...

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

00LOF6890B [DBID]
UNII:00LOF6890B [DBID]
UNII-00LOF6890B [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 168.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 62.50
ACD/KOC (pH 5.5): 181.42
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 62.38
ACD/KOC (pH 7.4): 181.06
Polar Surface Area: 154 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 496.3±7.0 cm3

Click to predict properties on the Chemicalize site


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