ChemSpider 2D Image | Methyl 4-iodo-2-[({4-methyl-6-[(~2~H_3_)methyloxy]-1,3,5-triazin-2-yl}carbamoyl)sulfamoyl]benzoate | C14H11D3IN5O6S

Methyl 4-iodo-2-[({4-methyl-6-[(2H3)methyloxy]-1,3,5-triazin-2-yl}carbamoyl)sulfamoyl]benzoate

  • Molecular FormulaC14H11D3IN5O6S
  • Average mass510.279 Da
  • Monoisotopic mass509.989777 Da
  • ChemSpider ID58780179

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Iodo-2-[({4-méthyl-6-[(2H3)méthyloxy]-1,3,5-triazin-2-yl}carbamoyl)sulfamoyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-iodo-2-[[[[[4-methyl-6-(methyl-d3-oxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-iodo-2-[({4-methyl-6-[(2H3)methyloxy]-1,3,5-triazin-2-yl}carbamoyl)sulfamoyl]benzoate [ACD/IUPAC Name]
Methyl-4-iod-2-[({4-methyl-6-[(2H3)methyloxy]-1,3,5-triazin-2-yl}carbamoyl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.53
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 158 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

Click to predict properties on the Chemicalize site


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