rel-(5aR,9aS)-7-(2-ethylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(2-ethylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-(2-ethylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0460 |
| Compound Name: | rel-(5aR,9aS)-7-(2-ethylbenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2237 |
| logD: | 2.1731 |
| logSw: | -2.0443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.054 |
| InChI Key: | XEQHXXNWWKTUOZ-LEWJYISDSA-N |