rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(furan-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(furan-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(furan-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0893 |
| Compound Name: | rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(furan-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C15 H24 N2 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccco1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8735 |
| logD: | 0.6179 |
| logSw: | -1.9487 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.062 |
| InChI Key: | VXBMDRWWSSXCQE-ZFWWWQNUSA-N |