ChemSpider 2D Image | N-{[7-(Ethylsulfonyl)-2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}glutamic acid | C17H20N2O9S

N-{[7-(Ethylsulfonyl)-2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}glutamic acid

  • Molecular FormulaC17H20N2O9S
  • Average mass428.414 Da
  • Monoisotopic mass428.088959 Da
  • ChemSpider ID76045016

More details:

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

Acide N-{2-[7-(éthylsulfonyl)-2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acétyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[2-[7-(ethylsulfonyl)-2,3-dihydro-2-oxo-4H-1,4-benzoxazin-4-yl]acetyl]- [ACD/Index Name]
N-{[7-(Ethylsulfonyl)-2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}glutamic acid [ACD/IUPAC Name]
N-{[7-(Ethylsulfonyl)-2-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetyl}glutaminsäure [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 804.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -4.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 288.8±3.0 cm3

Click to predict properties on the Chemicalize site


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