ChemSpider 2D Image | Methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate | C12H13ClN6O4S

Methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate

  • Molecular FormulaC12H13ClN6O4S
  • Average mass372.787 Da
  • Monoisotopic mass372.040741 Da
  • ChemSpider ID26326697

More details:






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

Glycine, N-[4-[[4-(aminosulfonyl)phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]-, methyl ester [ACD/Index Name]
Methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate [ACD/IUPAC Name]
Methyl-N-{4-chlor-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinat [German] [ACD/IUPAC Name]
N-{4-Chloro-6-[(4-sulfamoylphényl)amino]-1,3,5-triazin-2-yl}glycinate de méthyle [French] [ACD/IUPAC Name]
DWH

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.26
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.04
Polar Surface Area: 158 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 87.4±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

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