N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,2-dimethylpropanamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | P618-0502 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,2-dimethylpropanamide |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(C(C)(C)C)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2363 |
| logD: | 3.2363 |
| logSw: | -3.6508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.134 |
| InChI Key: | YPORWJBYQIARMI-UHFFFAOYSA-N |