rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1034 |
| Compound Name: | rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C21 H27 F N4 O |
| Smiles: | Cc1c(CN2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)cnn1C |
| Stereo: | RELATIVE |
| logP: | 1.7878 |
| logD: | -1.9634 |
| logSw: | -1.8999 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.755 |
| InChI Key: | MCOWQZPOSPMYOP-XLIONFOSSA-N |