rel-(5aR,9aS)-1-benzyl-7-[(quinolin-8-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(quinolin-8-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(quinolin-8-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0346 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(quinolin-8-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C25 H29 N3 O |
| Smiles: | C1CN(Cc2cccc3cccnc23)C[C@@H]2COCCN(Cc3ccccc3)[C@H]12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4904 |
| logD: | 3.3416 |
| logSw: | -3.1112 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.0914 |
| InChI Key: | DZLBAKIIUBOVAH-BJKOFHAPSA-N |