rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1016 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(1-methyl-1H-indol-3-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C25 H28 F N3 O |
| Smiles: | Cn1cc(CN2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5531 |
| logD: | 1.1136 |
| logSw: | -3.7663 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.8282 |
| InChI Key: | PVCNOAXZTDSQLO-DVECYGJZSA-N |