ChemSpider 2D Image | Ethyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl}-1-piperazinecarboxylate | C20H27N3O7S

Ethyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H27N3O7S
  • Average mass453.509 Da
  • Monoisotopic mass453.156982 Da
  • ChemSpider ID21903116

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[(3,4-dihydro-6-methyl-3-oxo-2H-1,4-benzoxazin-7-yl)sulfonyl]-1-oxobutyl]-, ethyl ester [ACD/Index Name]
4-{3-[(6-Méthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 159.12
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 159.11
Polar Surface Area: 131 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

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