2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | E523-0250 |
| Compound Name: | 2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C20 H23 N3 O2 S2 |
| Smiles: | CCCSCCCNC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7471 |
| logD: | 2.7471 |
| logSw: | -3.3991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.038 |
| InChI Key: | PWCILEVXDAHRKC-UHFFFAOYSA-N |