N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyrazine-2-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyrazine-2-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | P618-0450 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]pyrazine-2-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cnccn3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8853 |
| logD: | 1.8852 |
| logSw: | -2.426 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.428 |
| InChI Key: | YKLHCNPUHVWWBT-UHFFFAOYSA-N |