rel-(5aR,9aS)-7-[(3,4-difluorophenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(3,4-difluorophenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-[(3,4-difluorophenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0952 |
| Compound Name: | rel-(5aR,9aS)-7-[(3,4-difluorophenyl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 374.45 |
| Molecular Formula: | C17 H24 F2 N2 O3 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccc(c(c1)F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6914 |
| logD: | 1.4963 |
| logSw: | -2.467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.314 |
| InChI Key: | AHMCLZFNEIXLAG-YOEHRIQHSA-N |