2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methylphenyl)methyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E645-0695 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C22 H18 Cl N3 O3 |
| Smiles: | Cc1ccc(CNC(CN2C(c3cccnc3Oc3ccc(cc23)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7941 |
| logD: | 3.7941 |
| logSw: | -4.2732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.004 |
| InChI Key: | VSVDJLGCANOFAB-UHFFFAOYSA-N |