ChemSpider 2D Image | Dimethyl 2,2'-({6-[(4-sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)diacetate | C16H21N7O6S

Dimethyl 2,2'-({6-[(4-sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)diacetate

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID26629574

More details:

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

2,2'-({6-[(4-Sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)diacétate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2,2'-({6-[(4-sulfamoylbenzyl)amino]-1,3,5-triazine-2,4-diyl}diimino)diacetate [ACD/IUPAC Name]
Dimethyl-2,2'-({6-[(4-sulfamoylbenzyl)amino]-1,3,5-triazin-2,4-diyl}diimino)diacetat [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: 704.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.08
Polar Surface Area: 196 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

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