(1H-indol-5-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(1H-indol-5-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(1H-indol-5-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-2134 |
| Compound Name: | (1H-indol-5-yl)[rel-(5aR,9aR)-1-(2-methoxyethyl)octahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | COCCN1CCOC[C@H]2CCN(C[C@@H]12)C(c1ccc2c(cc[nH]2)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1325 |
| logD: | 1.1104 |
| logSw: | -2.231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.847 |
| InChI Key: | YWPUXJPXAKTULR-MJGOQNOKSA-N |