2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E645-0733 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C22 H18 Cl N3 O4 |
| Smiles: | COc1cccc(CNC(CN2C(c3cccnc3Oc3ccc(cc23)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.468 |
| logD: | 3.468 |
| logSw: | -3.9371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.547 |
| InChI Key: | OHEPYVNFGVYVGT-UHFFFAOYSA-N |