(isoquinolin-1-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(isoquinolin-1-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(isoquinolin-1-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1989 |
| Compound Name: | (isoquinolin-1-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccncc1)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.693 |
| logD: | 1.6685 |
| logSw: | -2.0223 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.449 |
| InChI Key: | VALOLWMYHAMTGU-IFMALSPDSA-N |