N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1-methyl-1H-pyrrole-2-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | P618-0503 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cccn3C)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.536 |
| logD: | 3.536 |
| logSw: | -3.8289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.279 |
| InChI Key: | BVDVFWJKXKOKFX-UHFFFAOYSA-N |