ChemSpider 2D Image | Upamostat | C32H47N5O6S

Upamostat

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID8394324

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[3-[(E)-amino(hydroxyimino)methyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester [ACD/Index Name]
4-{3-(N'-Hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphényl)sulfonyl]phénylalanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-(N'-hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-(N'-hydroxycarbamimidoyl)-N-[(2,4,6-triisopropylphenyl)sulfonyl]phenylalanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
Upamostat [INN]
1191101-18-4 [RN]
590368-25-5 [RN]
Mesupron
MFCD20526529
MFCD31700591
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.8±35.7 °C
Index of Refraction: 1.596
Molar Refractivity: 170.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3203.54
ACD/KOC (pH 5.5): 10523.79
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3997.38
ACD/KOC (pH 7.4): 13131.57
Polar Surface Area: 163 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 501.4±7.0 cm3

Click to predict properties on the Chemicalize site


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