(3-fluoro-4-methoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(3-fluoro-4-methoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(3-fluoro-4-methoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1980 |
| Compound Name: | (3-fluoro-4-methoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C22 H26 F N3 O3 |
| Smiles: | COc1ccc(cc1F)C(N1CC[C@@H]2COCCN(Cc3ccncc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4169 |
| logD: | 1.3925 |
| logSw: | -1.6424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.533 |
| InChI Key: | KKRSCPHYCLVINN-QUCCMNQESA-N |