N-[1-(adamantan-1-yl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E986-0143 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-oxo-4-(pyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C28 H33 N3 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCC(N1Cc2ccccc2Oc2c1cccn2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7354 |
| logD: | 4.7354 |
| logSw: | -4.4046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.816 |
| InChI Key: | XXJWCBJAJXUUSU-CBKZDSQWSA-N |