N-[(3-bromophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-[(3-bromophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2057 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 466.33 |
| Molecular Formula: | C23 H20 Br N3 O3 |
| Smiles: | C(CC(NCc1cccc(c1)[Br])=O)CN1C(c2cccnc2Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4541 |
| logD: | 3.4541 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.982 |
| InChI Key: | MKJJVEKKVLBLHP-UHFFFAOYSA-N |