rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0487 |
| Compound Name: | rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3cccnc3)[C@H]12)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1963 |
| logD: | 1.1299 |
| logSw: | -1.6424 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.949 |
| InChI Key: | CGPSPWUDVQGXNI-LEWJYISDSA-N |