(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
(2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone
Compound characteristics
| Compound ID: | S232-0061 |
| Compound Name: | (2,4-dimethoxyphenyl)[rel-(5aR,9aR)-1-methyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]methanone |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C18 H26 N2 O4 |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)C(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0897 |
| logD: | 0.9592 |
| logSw: | -2.2775 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.635 |
| InChI Key: | MICAOXPSOQQATK-CJNGLKHVSA-N |