ethyl 2-[(cyanomethyl)sulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(cyanomethyl)sulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(cyanomethyl)sulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0094 |
| Compound Name: | ethyl 2-[(cyanomethyl)sulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1685 |
| logD: | 3.1685 |
| logSw: | -3.2094 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.43 |
| InChI Key: | TWSFMGNWZGMTCA-UHFFFAOYSA-N |