N-[1-(adamantan-1-yl)ethyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
N-[1-(adamantan-1-yl)ethyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E986-0913 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-(10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl)-4-oxobutanamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C29 H35 N3 O4 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCC(N1Cc2cccc(c2Oc2c1cccn2)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5462 |
| logD: | 4.5462 |
| logSw: | -4.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.131 |
| InChI Key: | ZBBHSCBXRUOWJH-PGGMPKIUSA-N |