(2,4-dimethylphenyl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
(2,4-dimethylphenyl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone
Compound characteristics
| Compound ID: | SB16-0430 |
| Compound Name: | (2,4-dimethylphenyl)[rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]octahydropyrido[4,3-e][1,4]oxazepin-7(5H)-yl]methanone |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C23 H29 N3 O2 |
| Smiles: | Cc1ccc(C(N2CC[C@@H]3[C@H](C2)COCCN3Cc2cccnc2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3757 |
| logD: | 1.9163 |
| logSw: | -2.5269 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.992 |
| InChI Key: | GBNVNLXXDKNOQZ-RBBKRZOGSA-N |