ChemSpider 2D Image | (4,6-Diamino-1,3,5-triazin-2-yl)methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate | C15H18N6O6S

(4,6-Diamino-1,3,5-triazin-2-yl)methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate

  • Molecular FormulaC15H18N6O6S
  • Average mass410.405 Da
  • Monoisotopic mass410.100861 Da
  • ChemSpider ID33202076

More details:

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

(4,6-Diamino-1,3,5-triazin-2-yl)methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)glycinate [ACD/IUPAC Name]
(4,6-Diamino-1,3,5-triazin-2-yl)methyl-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]-, (4,6-diamino-1,3,5-triazin-2-yl)methyl ester [ACD/Index Name]
N-(3,4-Dihydro-2H-1,5-benzodioxépin-7-ylsulfonyl)glycinate de (4,6-diamino-1,3,5-triazin-2-yl)méthyle [French] [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: 740.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 71.55
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 70.78
Polar Surface Area: 190 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

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