ethyl (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate

• ChemBase ID: 194437
• Molecular Formular: C14H19NO4S
• Molecular Mass: 297.36996
• Monoisotopic Mass: 297.10347909
• SMILES: N1[C@H](C(=O)OCC)CSC1c1cc(c(cc1)OC)OC
• Canonical SMILES: CCOC(=O)[C@@H]1CSC(N1)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C14H19NO4S/c1-4-19-14(16)10-8-20-13(15-10)9-5-6-11(17-2)12(7-9)18-3/h5-7,10,13,15H,4,8H2,1-3H3/t10-,13?/m0/s1
• InChIKey: OCOOVFSMHWLQOK-NKUHCKNESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate
• IUPAC Traditional name: ethyl (4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylate

Database IDs

• PubChem SID: 164250347
• PubChem CID: 6732925

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9526215
• LogD (pH = 7.4): 1.9673856
• Log P: 1.9675771
• Molar Refractivity: 77.7155 cm^3
• Polarizability: 31.059088 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds