N-(2-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-(2-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0031 |
| Compound Name: | N-(2-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 424.25 |
| Molecular Formula: | C20 H14 Br N3 O3 |
| Smiles: | C(C(Nc1ccccc1[Br])=O)N1C(c2cccnc2Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4404 |
| logD: | 3.4403 |
| logSw: | -3.8653 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | KRBSDXHMDAIUFP-UHFFFAOYSA-N |