2-methyl-1-[rel-(3aR,6aR)-5-(3-methylbenzoyl)-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-(3-methylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
2-methyl-1-[rel-(3aR,6aR)-5-(3-methylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S984-1308 |
| Compound Name: | 2-methyl-1-[rel-(3aR,6aR)-5-(3-methylbenzoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | CC(C)C(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1802 |
| logD: | 2.1802 |
| logSw: | -2.5115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.015 |
| InChI Key: | NVUBFOGISPWLNH-XXBNENTESA-N |