N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0227 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CSc1ccc(CCNC(CN2C(c3cccnc3Oc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2494 |
| logD: | 3.2494 |
| logSw: | -3.847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.845 |
| InChI Key: | KCZQOENBAFEMJG-UHFFFAOYSA-N |