rel-(5aR,8aR)-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0798 |
| Compound Name: | rel-(5aR,8aR)-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C17 H22 N2 O2 |
| Smiles: | Cc1ccc(CC(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5163 |
| logD: | 1.5163 |
| logSw: | -1.9988 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.354 |
| InChI Key: | BYHPQMXEGJFQDR-GJZGRUSLSA-N |