N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | P618-0437 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(methylsulfanyl)pyridine-3-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cccnc3SC)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4732 |
| logD: | 3.4731 |
| logSw: | -3.8162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.042 |
| InChI Key: | REFNFWMVHNJXDB-UHFFFAOYSA-N |