rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(1-methyl-1H-pyrazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(1-methyl-1H-pyrazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(1-methyl-1H-pyrazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1032 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(1-methyl-1H-pyrazole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C20 H23 F N4 O2 |
| Smiles: | Cn1ccc(C(N2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)=O)n1 |
| Stereo: | RELATIVE |
| logP: | 1.251 |
| logD: | 1.251 |
| logSw: | -1.7635 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.876 |
| InChI Key: | YUNGKTSGRZROAR-QAPCUYQASA-N |