ChemSpider 2D Image | Ethyl 6-[({2-[(methylsulfonyl)amino]benzoyl}oxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C16H19N3O7S

Ethyl 6-[({2-[(methylsulfonyl)amino]benzoyl}oxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC16H19N3O7S
  • Average mass397.403 Da
  • Monoisotopic mass397.094360 Da
  • ChemSpider ID21957756

More details:

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

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-[[[2-[(methylsulfonyl)amino]benzoyl]oxy]methyl]-2-oxo-, ethyl ester [ACD/Index Name]
6-[({2-[(Méthylsulfonyl)amino]benzoyl}oxy)méthyl]-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[({2-[(methylsulfonyl)amino]benzoyl}oxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-[({2-[(methylsulfonyl)amino]benzoyl}oxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.11
ACD/KOC (pH 5.5): 194.69
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 126.28
Polar Surface Area: 148 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

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