N-[(4-fluorophenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[(4-fluorophenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0096 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C23 H20 F N3 O3 |
| Smiles: | C(CC(N1Cc2ccccc2Oc2c1cccn2)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1211 |
| logD: | 3.1211 |
| logSw: | -3.3962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.62 |
| InChI Key: | BJBJDLUTJQQRCS-UHFFFAOYSA-N |