ChemSpider 2D Image | 2-[(Ethoxycarbonyl)amino]-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate | C16H20N2O9S

2-[(Ethoxycarbonyl)amino]-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate

  • Molecular FormulaC16H20N2O9S
  • Average mass416.403 Da
  • Monoisotopic mass416.088959 Da
  • ChemSpider ID30549270

More details:

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

2-[(Ethoxycarbonyl)amino]-2-oxoethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate [ACD/IUPAC Name]
2-[(Ethoxycarbonyl)amino]-2-oxoethyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-, 2-[(ethoxycarbonyl)amino]-2-oxoethyl ester [ACD/Index Name]
N-(3,4-Dihydro-2H-1,5-benzodioxépin-7-ylsulfonyl)glycinate de 2-[(éthoxycarbonyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.02
ACD/KOC (pH 5.5): 180.37
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 81.49
Polar Surface Area: 155 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 298.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement