rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(6-methoxypyridin-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(6-methoxypyridin-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(6-methoxypyridin-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0965 |
| Compound Name: | rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(6-methoxypyridin-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C17 H27 N3 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1cccc(n1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.174 |
| logD: | 0.0005 |
| logSw: | -2.2058 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.869 |
| InChI Key: | CXNCKZLNSXXUHE-HOCLYGCPSA-N |