ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0179 |
| Compound Name: | ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 488.62 |
| Molecular Formula: | C24 H28 N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)OC)C(=Nc2s1)SCC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0744 |
| logD: | 5.0744 |
| logSw: | -4.8206 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.489 |
| InChI Key: | KJXIEXAVGTVSMT-UHFFFAOYSA-N |