(4-methylpyridin-3-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(4-methylpyridin-3-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(4-methylpyridin-3-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1870 |
| Compound Name: | (4-methylpyridin-3-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | Cc1ccncc1C(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8986 |
| logD: | 0.895 |
| logSw: | -1.2596 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.51 |
| InChI Key: | KAMCHIUAZCFCCT-QUCCMNQESA-N |