rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-propanoyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-propanoyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-propanoyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0316 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-7-propanoyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 314.43 |
| Molecular Formula: | C19 H26 N2 O2 |
| Smiles: | CCC(N1C[C@H]2CCCC(N(Cc3ccc(C)cc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.301 |
| logD: | 2.301 |
| logSw: | -2.4214 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.929 |
| InChI Key: | GAPVLDSGRKNLDN-IRXDYDNUSA-N |