N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0200 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CSc1ccc(CCNC(CCC(N2Cc3ccccc3Oc3c2cccn3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5861 |
| logD: | 3.5861 |
| logSw: | -3.873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.461 |
| InChI Key: | WYXVFBOJNDLEMA-UHFFFAOYSA-N |