ethyl 4-[(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]piperazine-1-carboxylate
ethyl 4-[(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C756-0239 |
| Compound Name: | ethyl 4-[(4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]piperazine-1-carboxylate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C(CCSc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7066 |
| logD: | 1.7066 |
| logSw: | -2.2472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.123 |
| InChI Key: | SEWWRLLBXGYKAJ-UHFFFAOYSA-N |