ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0172 |
| Compound Name: | ethyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 581.67 |
| Molecular Formula: | C28 H27 N3 O7 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2s1)SCC(Nc1ccc(cc1)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.204 |
| logD: | 5.204 |
| logSw: | -5.1613 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.815 |
| InChI Key: | POQMSVPMDVSFPX-UHFFFAOYSA-N |