ethyl 2-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0430 |
| Compound Name: | ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 479.02 |
| Molecular Formula: | C22 H23 Cl N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CC3CCCO3)C(=Nc2s1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6641 |
| logD: | 4.6641 |
| logSw: | -4.9068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.081 |
| InChI Key: | JKFQBXSOPVJHFL-MRXNPFEDSA-N |