2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(3-phenylpropyl)acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(3-phenylpropyl)acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(3-phenylpropyl)acetamide
Compound characteristics
| Compound ID: | E645-0697 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(3-phenylpropyl)acetamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C23 H20 Cl N3 O3 |
| Smiles: | C(Cc1ccccc1)CNC(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1219 |
| logD: | 4.1219 |
| logSw: | -4.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.845 |
| InChI Key: | ROAUEMOJYHGNHU-UHFFFAOYSA-N |