ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-2-methylalanyl)-1-piperazinecarboxylate | C24H37N3O8S

2-Methyl-2-propanyl 4-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-2-methylalanyl)-1-piperazinecarboxylate

  • Molecular FormulaC24H37N3O8S
  • Average mass527.631 Da
  • Monoisotopic mass527.230164 Da
  • ChemSpider ID121713050

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[3-[(3,4-dimethoxyphenyl)sulfonyl]-1-oxopropyl]amino]-2-methyl-1-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-2-methylalanyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(N-{3-[(3,4-dimethoxyphenyl)sulfonyl]propanoyl}-2-methylalanyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(N-{3-[(3,4-Diméthoxyphényl)sulfonyl]propanoyl}-2-méthylalanyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.90
ACD/KOC (pH 5.5): 296.01
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.90
ACD/KOC (pH 7.4): 296.01
Polar Surface Area: 140 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 429.7±3.0 cm3

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