2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S985-0172 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C21 H33 N5 O2 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cn1c(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5447 |
| logD: | -5.6453 |
| logSw: | -0.758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.631 |
| InChI Key: | WVNNFBDEMQJGTP-RXVVDRJESA-N |