ethyl 2-[(cyanomethyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(cyanomethyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(cyanomethyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0103 |
| Compound Name: | ethyl 2-[(cyanomethyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C20 H19 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)OC)C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5347 |
| logD: | 3.5347 |
| logSw: | -3.7062 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.734 |
| InChI Key: | JSVQEMSOYKAWJD-UHFFFAOYSA-N |