ethyl 4-{4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanoyl}piperazine-1-carboxylate
ethyl 4-{4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C046-0221 |
| Compound Name: | ethyl 4-{4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C23 H31 N5 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9153 |
| logD: | 0.9153 |
| logSw: | -1.9175 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.647 |
| InChI Key: | UGOSODQUGZNXFX-UHFFFAOYSA-N |