ethyl 4-[3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | F145-0559 |
| Compound Name: | ethyl 4-[3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5324 |
| logD: | 2.5317 |
| logSw: | -2.6951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.227 |
| InChI Key: | QLKMJVYZPHHHPD-UHFFFAOYSA-N |