ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0371 |
| Compound Name: | ethyl 2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 557.09 |
| Molecular Formula: | C27 H25 Cl N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2s1)SCc1cc(ccc1OC)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8409 |
| logD: | 5.8409 |
| logSw: | -6.2231 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.884 |
| InChI Key: | KFWNVFQUAMYACH-UHFFFAOYSA-N |