N-[(4-ethoxyphenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-[(4-ethoxyphenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0838 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCOc1ccc(CNC(CCCN2C(c3ccccc3Sc3c2cccn3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3127 |
| logD: | 3.3127 |
| logSw: | -3.7144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.027 |
| InChI Key: | KVWGDLVNFDSOPF-UHFFFAOYSA-N |