ChemSpider 2D Image | (~2~H_3_)Methyl 2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoate | C17H16D3F3N6O6S

(2H3)Methyl 2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoate

  • Molecular FormulaC17H16D3F3N6O6S
  • Average mass495.448 Da
  • Monoisotopic mass495.122711 Da
  • ChemSpider ID107438388

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoate [ACD/IUPAC Name]
(2H3)Methyl-2-({[4-(dimethylamino)-6-(2,2,2-trifluorethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoat [German] [ACD/IUPAC Name]
2-({[4-(Diméthylamino)-6-(2,2,2-trifluoroéthoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-méthylbenzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl-d3 ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 19.05
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.37
Polar Surface Area: 161 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 329.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement