rel-(5aR,9aS)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0930 |
| Compound Name: | rel-(5aR,9aS)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C16 H27 N3 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1c(C)noc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5907 |
| logD: | -1.3974 |
| logSw: | -1.3062 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.352 |
| InChI Key: | USNONAMXDBLAMK-HOCLYGCPSA-N |