ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-0272 |
| Compound Name: | ethyl 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C26 H23 Cl F N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(Cc3ccc(cc3)F)C(=Nc2s1)SCC(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4562 |
| logD: | 5.4562 |
| logSw: | -6.0674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.898 |
| InChI Key: | YRHAWGSLLZUJOR-UHFFFAOYSA-N |