[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
[rel-(3aR,6aR)-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | SB47-0632 |
| Compound Name: | [rel-(3aR,6aR)-5-[(1-methyl-1H-pyrazol-4-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C21 H25 N7 O |
| Smiles: | Cc1nc([C@]23CN(Cc4cnn(C)c4)C[C@@H]3CN(C2)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5094 |
| logD: | -8.1588 |
| logSw: | -1.744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.02 |
| InChI Key: | RNTPXRRPKAMRLQ-NQIIRXRSSA-N |