rel-(5aR,9aS)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0382 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C21 H29 N3 O2 |
| Smiles: | Cc1c(CN2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3059 |
| logD: | 0.564 |
| logSw: | -2.3598 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.596 |
| InChI Key: | OFYOHKAXGAKLFO-PZJWPPBQSA-N |