N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)butanamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)butanamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)butanamide
Compound characteristics
| Compound ID: | P895-0217 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)butanamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C18 H19 N3 O2 S |
| Smiles: | CCCC(Nc1ccc2c(c1)Sc1c(cccn1)C(N2CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3525 |
| logD: | 3.3525 |
| logSw: | -3.7166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.599 |
| InChI Key: | PPMWDCNNUUYJHU-UHFFFAOYSA-N |