rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0302 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | COc1ccc2c(c1)c(CN1CC[C@@H]3[C@H](C1)COCCN3Cc1ccccc1)c[nH]2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3963 |
| logD: | 2.1015 |
| logSw: | -3.664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.973 |
| InChI Key: | FCWXSKNXKXTJRE-SQJMNOBHSA-N |