4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
Chemical Structure Depiction of
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | E645-2451 |
| Compound Name: | 4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Smiles: | C(CC(NCc1cccnc1)=O)CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0889 |
| logD: | 2.0865 |
| logSw: | -3.3914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.5 |
| InChI Key: | KUXSHLJFCDBNAC-UHFFFAOYSA-N |