rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0386 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C26 H33 N3 O2 |
| Smiles: | Cn1cc(CN2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)c2cc(ccc12)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5151 |
| logD: | 1.2126 |
| logSw: | -3.5299 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.6615 |
| InChI Key: | VDIXKBNJBIWZAY-WIOPSUGQSA-N |