N-[2-(4-chlorophenyl)ethyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0655 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Smiles: | C(CC(NCCc1ccc(cc1)[Cl])=O)CN1C(c2ccccc2Sc2c1cccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3131 |
| logD: | 3.3131 |
| logSw: | -3.9453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.744 |
| InChI Key: | VANVBKBJDGQLNF-UHFFFAOYSA-N |