N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-4-fluorobenzamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | P618-0453 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-4-fluorobenzamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccc(cc3)F)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5503 |
| logD: | 3.5503 |
| logSw: | -3.809 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.863 |
| InChI Key: | HMQFSLUYKVSKCX-UHFFFAOYSA-N |