(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1982 |
| Compound Name: | (2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-[(pyridin-4-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | COc1ccc(C(N2CC[C@@H]3COCCN(Cc4ccncc4)[C@@H]3C2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4727 |
| logD: | 1.4483 |
| logSw: | -1.9562 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.076 |
| InChI Key: | FBNGKWYZIIOWJM-NQIIRXRSSA-N |