4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
Chemical Structure Depiction of
4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide
Compound characteristics
| Compound ID: | E986-0960 |
| Compound Name: | 4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxobutanamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | COc1cccc2CN(C(CCC(NCCc3ccc(cc3)SC)=O)=O)c3cccnc3Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.3969 |
| logD: | 3.3969 |
| logSw: | -3.7703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.776 |
| InChI Key: | OSVCCYZBSBVGGC-UHFFFAOYSA-N |