ethyl 1-{[5-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{[5-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate
ethyl 1-{[5-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V012-2528 |
| Compound Name: | ethyl 1-{[5-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}piperidine-4-carboxylate |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)CC1NC(c2c(csc2N=1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7653 |
| logD: | 3.7501 |
| logSw: | -4.8885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.289 |
| InChI Key: | QGJKNFLXCCWDOU-UHFFFAOYSA-N |