1-[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
Chemical Structure Depiction of
1-[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
1-[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S232-2412 |
| Compound Name: | 1-[rel-(5aR,9aR)-1-benzyloctahydropyrido[3,4-e][1,4]oxazepin-8(1H)-yl]butan-1-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C19 H28 N2 O2 |
| Smiles: | CCCC(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4899 |
| logD: | 2.4077 |
| logSw: | -2.2685 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.2181 |
| InChI Key: | LUVPNMVKPYOLFE-MSOLQXFVSA-N |