N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,2-dimethylpropanamide
N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | P895-0219 |
| Compound Name: | N-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C19 H21 N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5884 |
| logD: | 3.5884 |
| logSw: | -3.8516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.812 |
| InChI Key: | QKYPTNIORJDSOQ-UHFFFAOYSA-N |