N-[2-(4-ethoxyphenyl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-[2-(4-ethoxyphenyl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1247 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCOc1ccc(CCNC(CCCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.353 |
| logD: | 3.353 |
| logSw: | -3.7091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.868 |
| InChI Key: | VPWZUBGVTSMQJT-UHFFFAOYSA-N |