ChemSpider 2D Image | Ethyl 6-[({N-[(3,4-dimethylphenyl)sulfonyl]-beta-alanyl}oxy)methyl]-4-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C20H27N3O7S

Ethyl 6-[({N-[(3,4-dimethylphenyl)sulfonyl]-β-alanyl}oxy)methyl]-4-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC20H27N3O7S
  • Average mass453.509 Da
  • Monoisotopic mass453.156982 Da
  • ChemSpider ID22396614

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[3-[[(3,4-dimethylphenyl)sulfonyl]amino]-1-oxopropoxy]methyl]-1,2,3,4-tetrahydro-4-methyl-2-oxo-, ethyl ester [ACD/Index Name]
6-[({N-[(3,4-Diméthylphényl)sulfonyl]-β-alanyl}oxy)méthyl]-4-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[({N-[(3,4-dimethylphenyl)sulfonyl]-β-alanyl}oxy)methyl]-4-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-[({N-[(3,4-dimethylphenyl)sulfonyl]-β-alanyl}oxy)methyl]-4-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.538
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.92
ACD/KOC (pH 5.5): 337.69
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 337.50
Polar Surface Area: 148 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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