rel-(5aR,9aS)-7-[(2,4-dimethoxyphenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(2,4-dimethoxyphenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-[(2,4-dimethoxyphenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0960 |
| Compound Name: | rel-(5aR,9aS)-7-[(2,4-dimethoxyphenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C19 H30 N2 O5 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccc(cc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5704 |
| logD: | 1.1723 |
| logSw: | -2.4022 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.488 |
| InChI Key: | ZYSYSTSVVWVRHU-WMZOPIPTSA-N |