3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S985-0175 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(3aR,6aR)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C22 H34 N4 O3 |
| Smiles: | CC(C)N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CCc1c(C)noc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5932 |
| logD: | -4.5968 |
| logSw: | -1.4717 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.662 |
| InChI Key: | IZNXYGTWRLQAOT-AVRDEDQJSA-N |