N-[(3-methylphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[(3-methylphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0081 |
| Compound Name: | N-[(3-methylphenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C24 H23 N3 O3 |
| Smiles: | Cc1cccc(CNC(CCC(N2Cc3ccccc3Oc3c2cccn3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7805 |
| logD: | 3.7805 |
| logSw: | -3.8839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.62 |
| InChI Key: | NAFLBIOFRVPIPR-UHFFFAOYSA-N |