rel-(5aR,9aR)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/1)
rel-(5aR,9aR)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S232-1349 |
| Compound Name: | rel-(5aR,9aR)-1-benzyldecahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/1) |
| Molecular Weight: | 282.81 |
| Molecular Formula: | C15 H22 N2 O |
| Salt: | HCl |
| Smiles: | C1CNC[C@@H]2[C@H]1COCCN2Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8785 |
| logD: | -1.3841 |
| logSw: | -1.5869 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.9761 |
| InChI Key: | VZTGACHYTPOBRI-GJZGRUSLSA-N |