ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]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-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0433 |
| Compound Name: | ethyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 535.1 |
| Molecular Formula: | C24 H23 Cl N2 O4 S3 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCc1csc2ccc(cc12)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7292 |
| logD: | 5.7292 |
| logSw: | -6.0668 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.828 |
| InChI Key: | SIUAEKINWOEUAN-MRXNPFEDSA-N |