N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0644 |
| Compound Name: | N-benzyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | C(CC(NCc1ccccc1)=O)CN1C(c2ccccc2Sc2c1cccn2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9437 |
| logD: | 2.9437 |
| logSw: | -3.6931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | KZBGYVZPTBPSNW-UHFFFAOYSA-N |