N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0149 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C28 H31 N3 O5 |
| Smiles: | CCOc1ccc(CCNC(CCC(N2Cc3ccccc3Oc3c2cccn3)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.875 |
| logD: | 2.875 |
| logSw: | -3.3563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.882 |
| InChI Key: | ZISNYWQSLSLINM-UHFFFAOYSA-N |