ethyl 1-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanoyl]piperidine-4-carboxylate
ethyl 1-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | G290-0995 |
| Compound Name: | ethyl 1-[3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanoyl]piperidine-4-carboxylate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(CCN1C(c2cccnc2Sc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8211 |
| logD: | 2.8211 |
| logSw: | -3.4206 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.578 |
| InChI Key: | XLFHFKDKBYKNEC-UHFFFAOYSA-N |