4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methoxyphenyl)methyl]butanamide
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | E645-2493 |
| Compound Name: | 4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C24 H22 Cl N3 O4 |
| Smiles: | COc1ccc(CNC(CCCN2C(c3cccnc3Oc3ccc(cc23)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.299 |
| logD: | 3.299 |
| logSw: | -3.9376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.526 |
| InChI Key: | LVLMZIDKTOYYHO-UHFFFAOYSA-N |