4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(2,3-dimethylcyclohexyl)butanamide
Chemical Structure Depiction of
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(2,3-dimethylcyclohexyl)butanamide
4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(2,3-dimethylcyclohexyl)butanamide
Compound characteristics
| Compound ID: | E645-2545 |
| Compound Name: | 4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-(2,3-dimethylcyclohexyl)butanamide |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | CC1CCCC(C1C)NC(CCCN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8027 |
| logD: | 3.8027 |
| logSw: | -4.3528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.097 |
| InChI Key: | BTOISCSJPQZRNJ-UHFFFAOYSA-N |