(furan-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(furan-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(furan-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-2018 |
| Compound Name: | (furan-2-yl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C19 H23 N3 O3 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccncc1)C(c1ccco1)=O |
| Stereo: | RELATIVE |
| logP: | 0.8073 |
| logD: | 0.7829 |
| logSw: | -0.8067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.48 |
| InChI Key: | MQRULIZBLFOHRV-SJORKVTESA-N |