rel-(5aR,9aS)-1-benzyl-7-(oxan-4-yl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-(oxan-4-yl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-(oxan-4-yl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0344 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-(oxan-4-yl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C20 H30 N2 O2 |
| Smiles: | C1COCCC1N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9532 |
| logD: | 0.5119 |
| logSw: | -1.9664 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.0197 |
| InChI Key: | UZTFLWTZZMGQSA-AZUAARDMSA-N |