rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0939 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methylphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C24 H27 F N2 O2 |
| Smiles: | Cc1ccc(CC(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4904 |
| logD: | 3.4904 |
| logSw: | -3.6217 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.657 |
| InChI Key: | KLFBCGMBWVQGIX-IRLDBZIGSA-N |