ethyl 4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
ethyl 4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K292-1786 |
| Compound Name: | ethyl 4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 576.49 |
| Molecular Formula: | C23 H22 Br N5 O4 S2 |
| Smiles: | CCOC(N1CCC(CC1)N1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1975 |
| logD: | 3.1975 |
| logSw: | -3.3353 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.297 |
| InChI Key: | ZFECCNQLDOZIFS-UHFFFAOYSA-N |