ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-fluorophenyl)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-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0200 |
| Compound Name: | ethyl 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C23 H25 F N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)F)C(=Nc2s1)SCC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1211 |
| logD: | 5.1211 |
| logSw: | -5.0429 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.945 |
| InChI Key: | JJSSVSPGUCSRMX-UHFFFAOYSA-N |