N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | P618-0506 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyridine-4-carboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccncc3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2722 |
| logD: | 2.2717 |
| logSw: | -2.6894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.291 |
| InChI Key: | OTXVESVWVSOWEM-UHFFFAOYSA-N |