rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0329 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C24 H30 N2 O2 |
| Smiles: | C1COc2ccc(CN3CC[C@@H]4[C@H](C3)COCCN4Cc3ccccc3)cc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1796 |
| logD: | 2.2012 |
| logSw: | -3.0522 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.796 |
| InChI Key: | OXUINEVEYXQHQP-XZOQPEGZSA-N |