(1H-indol-4-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(1H-indol-4-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(1H-indol-4-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-1857 |
| Compound Name: | (1H-indol-4-yl)[rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)C(c1cccc2c1cc[nH]2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5685 |
| logD: | 1.565 |
| logSw: | -1.8297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.773 |
| InChI Key: | ZHOAHOQAPPQYRV-GCJKJVERSA-N |