ChemSpider 2D Image | Methyl 4-{[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)sulfonyl]amino}benzoate | C13H13N3O6S

Methyl 4-{[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)sulfonyl]amino}benzoate

  • Molecular FormulaC13H13N3O6S
  • Average mass339.324 Da
  • Monoisotopic mass339.052490 Da
  • ChemSpider ID27425682

More details:

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

4-{[(6-Méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)sulfonyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-{[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)sulfonyl]amino}benzoate [ACD/IUPAC Name]
Methyl-4-{[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)sulfonyl]amino}benzoat [German] [ACD/IUPAC Name]
METHYL 4-(2-HYDROXY-4-METHYL-6-OXO-1H-PYRIMIDINE-5-SULFONAMIDO)BENZOATE
methyl 4-{[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)sulfonyl]amino}benzoate

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.19
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 215.9±7.0 cm3

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