rel-(5aR,9aS)-1-benzyl-7-(cyclohexylmethyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-(cyclohexylmethyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-(cyclohexylmethyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0321 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-(cyclohexylmethyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 342.52 |
| Molecular Formula: | C22 H34 N2 O |
| Smiles: | C1CCC(CC1)CN1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9289 |
| logD: | 3.1019 |
| logSw: | -4.065 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 15.7503 |
| InChI Key: | FPGFPWXAYWGCNW-FCHUYYIVSA-N |