2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E645-0642 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 447.8 |
| Molecular Formula: | C21 H13 Cl F3 N3 O3 |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)N1C(c2cccnc2Oc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3086 |
| logD: | 4.3086 |
| logSw: | -4.6697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | PSMCTDWJIMITCF-UHFFFAOYSA-N |