rel-(5aR,9aS)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0385 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(1-ethyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 403.57 |
| Molecular Formula: | C26 H33 N3 O |
| Smiles: | CCn1cc(CN2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7149 |
| logD: | 0.4366 |
| logSw: | -3.7206 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 17.2866 |
| InChI Key: | JEOMPIYQFXSUTK-UKILVPOCSA-N |