2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB47-0669 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2cccnc2)=O)C(Cc2cccc(c2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0827 |
| logD: | 1.0823 |
| logSw: | -1.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.661 |
| InChI Key: | FUIDXSZLKRSMGZ-DVECYGJZSA-N |