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Search term: JSXWZGIORINZQT-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-{4-[(8-Ethoxy-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1-piperazinyl}-N,3-dimethylbenzamide | C25H32N4O4

4-{4-[(8-Ethoxy-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1-piperazinyl}-N,3-dimethylbenzamide

  • Molecular FormulaC25H32N4O4
  • Average mass452.546 Da
  • Monoisotopic mass452.242371 Da
  • ChemSpider ID30824403

More details:






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

4-{4-[(8-Ethoxy-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1-piperazinyl}-N,3-dimethylbenzamid [German] [ACD/IUPAC Name]
4-{4-[(8-Ethoxy-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1-piperazinyl}-N,3-dimethylbenzamide [ACD/IUPAC Name]
4-{4-[(8-Éthoxy-2-méthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)méthyl]-1-pipérazinyl}-N,3-diméthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[4-[(8-ethoxy-3,4-dihydro-2-methyl-3-oxo-2H-1,4-benzoxazin-6-yl)methyl]-1-piperazinyl]-N,3-dimethyl- [ACD/Index Name]
10.1016/j.bmcl.2013.06.055

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 648.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 8.33
ACD/KOC (pH 5.5): 115.35
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.96
ACD/KOC (pH 7.4): 345.58
Polar Surface Area: 83 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

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