N-[2-(4-ethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[2-(4-ethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0198 |
| Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CCOc1ccc(CCNC(CCC(N2Cc3ccccc3Oc3c2cccn3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2357 |
| logD: | 3.2357 |
| logSw: | -3.5039 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.585 |
| InChI Key: | HQKROOYOQJCOCJ-UHFFFAOYSA-N |