ChemSpider 2D Image | Ethyl 4-{3-[(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazinecarboxylate | C32H47N5O6S

Ethyl 4-{3-[(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazinecarboxylate

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID57262133

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[3-[(2-hydroxyhydrazinylidene)methyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester [ACD/Index Name]
4-{3-[(Hydroxyhydrazono)méthyl]-N-[(2,4,6-triisopropylphényl)sulfonyl]phénylalanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
590368-25-5 [RN]
Upamostat [INN]
WX-671

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

Density: 1.2±0.1 g/cm3
Boiling Point: 772.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.1±35.7 °C
Index of Refraction: 1.590
Molar Refractivity: 171.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11377.20
ACD/KOC (pH 5.5): 27853.52
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11268.98
ACD/KOC (pH 7.4): 27588.57
Polar Surface Area: 149 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 509.4±7.0 cm3

Click to predict properties on the Chemicalize site


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