ChemSpider 2D Image | Upamostat | C32H47N5O6S

Upamostat

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID28189283
  • Double-bond stereo - Double-bond stereo

    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-[(E)-(2-hydroxyhydrazinylidene)methyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester [ACD/Index Name]
4-{3-[(E)-(Hydroxyhydrazono)méthyl]-N-[(2,4,6-triisopropylphényl)sulfonyl]-L-phénylalanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(E)-(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(E)-(hydroxyhydrazono)methyl]-N-[(2,4,6-triisopropylphenyl)sulfonyl]-L-phenylalanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
Upamostat [INN]
Upamostat [Spanish] [INN]
Upamostat [French] [INN]
Upamostatum [Latin] [INN]
(S,E)-ethyl 4-(3-(3-((2-hydroxyhydrazono)methyl)phenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carboxylate
1-Piperazinecarboxylic acid, 4-[(2S)-3-[3-[(hydroxyamino)iminomethyl]phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-, ethyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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): 11377.23
ACD/KOC (pH 5.5): 27853.58
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11270.91
ACD/KOC (pH 7.4): 27593.29
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

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