ChemSpider 2D Image | Methyl 6-{[(3-chloro-4-methoxyphenyl)sulfonyl]methyl}-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C20H19ClN2O7S

Methyl 6-{[(3-chloro-4-methoxyphenyl)sulfonyl]methyl}-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC20H19ClN2O7S
  • Average mass466.892 Da
  • Monoisotopic mass466.060150 Da
  • ChemSpider ID21904708

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[(3-chloro-4-methoxyphenyl)sulfonyl]methyl]-1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-2-oxo-, methyl ester [ACD/Index Name]
6-{[(3-Chloro-4-méthoxyphényl)sulfonyl]méthyl}-4-(4-hydroxyphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-{[(3-chloro-4-methoxyphenyl)sulfonyl]methyl}-4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-6-{[(3-chlor-4-methoxyphenyl)sulfonyl]methyl}-4-(4-hydroxyphenyl)-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: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.74
ACD/KOC (pH 5.5): 375.50
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.61
ACD/KOC (pH 7.4): 373.73
Polar Surface Area: 139 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

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