rel-(5aR,8aR)-7-(1-acetylpiperidine-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1-acetylpiperidine-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1-acetylpiperidine-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0390 |
| Compound Name: | rel-(5aR,8aR)-7-(1-acetylpiperidine-4-carbonyl)-1-[(4-methylphenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C24 H33 N3 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1C[C@H]2CCCC(N(Cc3ccc(C)cc3)[C@H]2C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7917 |
| logD: | 1.7917 |
| logSw: | -2.0684 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.572 |
| InChI Key: | RCMDYEBMBABBID-VXKWHMMOSA-N |