ChemSpider 2D Image | methyl 1-[2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate | C26H31N3O4S

methyl 1-[2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

  • Molecular FormulaC26H31N3O4S
  • Average mass481.607 Da
  • Monoisotopic mass481.203522 Da
  • ChemSpider ID23238116

More details:

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

1-[2-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)éthyl]-4-[phényl(propionyl)amino]-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
131728-95-5 [RN]
4-Piperidinecarboxylic acid, 1-[2-(2,3-dihydro-3-oxo-4H-1,4-benzothiazin-4-yl)ethyl]-4-[(1-oxopropyl)phenylamino]-, methyl ester [ACD/Index Name]
methyl 1-[2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
Methyl 1-[2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-[2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)ethyl]-4-[phenyl(propionyl)amino]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[2-(3-Oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-ethyl]-4-(phenyl-propionyl-amino)-piperidine-4-carboxylic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.9±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 21.24
ACD/KOC (pH 5.5): 195.16
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 102.99
ACD/KOC (pH 7.4): 946.51
Polar Surface Area: 95 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

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