N-[(4-fluorophenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-[(4-fluorophenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0715 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C23 H20 F N3 O2 S |
| Smiles: | C(CC(NCc1ccc(cc1)F)=O)CN1C(c2ccccc2Sc2c1cccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9728 |
| logD: | 2.9728 |
| logSw: | -3.6562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | KGPFTBWDESKTMR-UHFFFAOYSA-N |