2-methyl-1-[rel-(3aR,6aR)-5-[(4-methyl-1H-pyrazol-1-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[rel-(3aR,6aR)-5-[(4-methyl-1H-pyrazol-1-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
2-methyl-1-[rel-(3aR,6aR)-5-[(4-methyl-1H-pyrazol-1-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S985-0300 |
| Compound Name: | 2-methyl-1-[rel-(3aR,6aR)-5-[(4-methyl-1H-pyrazol-1-yl)acetyl]-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C21 H31 N5 O3 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(Cn1cc(C)cn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6031 |
| logD: | 0.6031 |
| logSw: | -0.2794 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.265 |
| InChI Key: | JXIQLUMMAKKCMY-UWJYYQICSA-N |