rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0475 |
| Compound Name: | rel-(5aR,9aS)-1-[(pyridin-3-yl)methyl]-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | C1CCc2cc(ccc2C1)S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.9191 |
| logD: | 2.8686 |
| logSw: | -2.9129 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.975 |
| InChI Key: | ZKKQALWZPXVUPM-LADGPHEKSA-N |