ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0432 |
| Compound Name: | ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 551.48 |
| Molecular Formula: | C23 H23 Br N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3677 |
| logD: | 4.3677 |
| logSw: | -4.3991 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.328 |
| InChI Key: | WPDUWUSGLCYCKL-MRXNPFEDSA-N |