N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2055 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CSc1ccc(CCNC(CCCN2C(c3cccnc3Oc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1953 |
| logD: | 3.1953 |
| logSw: | -3.7917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.823 |
| InChI Key: | UZMOPBRVPCFEHM-UHFFFAOYSA-N |