[rel-(3aR,6aR)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S984-1732 |
| Compound Name: | [rel-(3aR,6aR)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 445.53 |
| Molecular Formula: | C19 H29 F2 N5 O3 S |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)S(c1cnn(C(F)F)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8313 |
| logD: | -3.6314 |
| logSw: | -1.4933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.8 |
| InChI Key: | OWVODDDOKROJRR-BEFAXECRSA-N |