rel-(5aR,9aS)-1-benzyl-7-(4-methoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-(4-methoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-(4-methoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0358 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-(4-methoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | COc1ccc(cc1)S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8735 |
| logD: | 2.6854 |
| logSw: | -3.188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.08 |
| InChI Key: | UQLIEDNHTYLRLV-SIKLNZKXSA-N |