rel-(5aR,9aS)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0333 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-(4-fluoro-3-methylbenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C22 H27 F N2 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3865 |
| logD: | 3.1984 |
| logSw: | -3.724 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.537 |
| InChI Key: | UPJWBGLFUYFSBT-SIKLNZKXSA-N |