ethyl 4-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
ethyl 4-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K292-1729 |
| Compound Name: | ethyl 4-[2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 481.99 |
| Molecular Formula: | C21 H21 Cl F N3 O3 S2 |
| Smiles: | CCOC(N1CCC(CC1)N1C(=Nc2ccsc2C1=O)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2691 |
| logD: | 5.2691 |
| logSw: | -5.8252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.791 |
| InChI Key: | GYVPBEQSOZADFJ-UHFFFAOYSA-N |