rel-(5aR,9aS)-7-(3-methoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(3-methoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-(3-methoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0435 |
| Compound Name: | rel-(5aR,9aS)-7-(3-methoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | COc1cccc(c1)S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5576 |
| logD: | 1.507 |
| logSw: | -1.7572 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.598 |
| InChI Key: | SRIGWPLKIWNLIO-GHTZIAJQSA-N |