[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0753 |
| Compound Name: | [rel-(3aR,6aR)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C21 H25 N7 O |
| Smiles: | Cc1nc([C@]23CN(Cc4cccn4C)C[C@@H]3CN(C2)C(c2cccnc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6203 |
| logD: | -3.5216 |
| logSw: | -1.0429 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.627 |
| InChI Key: | RXOXOGSCXUPKPZ-UTKZUKDTSA-N |