rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0296 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C24 H30 N2 O3 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]2COCCN(Cc3ccccc3)[C@H]12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1918 |
| logD: | 0.8239 |
| logSw: | -2.3995 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3813 |
| InChI Key: | QZIGDYYQUWQGQR-FCHUYYIVSA-N |