[rel-(3aR,6aR)-2-(1H-indazole-3-carbonyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-2-(1H-indazole-3-carbonyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
[rel-(3aR,6aR)-2-(1H-indazole-3-carbonyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S985-0124 |
| Compound Name: | [rel-(3aR,6aR)-2-(1H-indazole-3-carbonyl)-5-(propan-2-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1c2ccccc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0872 |
| logD: | -3.9865 |
| logSw: | -2.744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.398 |
| InChI Key: | MLZANZQPHAGTKJ-ZHRRBRCNSA-N |