rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1021 |
| Compound Name: | rel-(5aR,8aR)-7-[(1-acetylpiperidin-4-yl)acetyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 429.53 |
| Molecular Formula: | C24 H32 F N3 O3 |
| Smiles: | CC(N1CCC(CC1)CC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0098 |
| logD: | 2.0098 |
| logSw: | -2.3298 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.045 |
| InChI Key: | UQLZHYFEYYMNPD-IRLDBZIGSA-N |