ChemSpider 2D Image | Ethyl 2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}oxy)benzoate | C16H18N4O8S

Ethyl 2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}oxy)benzoate

  • Molecular FormulaC16H18N4O8S
  • Average mass426.401 Da
  • Monoisotopic mass426.084534 Da
  • ChemSpider ID127429512

More details:

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

2-({[(4,6-Diméthoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}oxy)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]oxy]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}oxy)benzoate [ACD/IUPAC Name]
Ethyl-2-({[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}oxy)benzoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4531797/

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: 1.584
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.51
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 163 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 293.1±3.0 cm3

Click to predict properties on the Chemicalize site


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