[rel-(3aR,6aR)-5-[(1,3-dimethyl-1H-pyrazol-5-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-[(1,3-dimethyl-1H-pyrazol-5-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-[(1,3-dimethyl-1H-pyrazol-5-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: | SB47-0642 |
| Compound Name: | [rel-(3aR,6aR)-5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](phenyl)methanone |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H27 N7 O |
| Smiles: | Cc1cc(CN2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)n(C)n1 |
| Stereo: | RELATIVE |
| logP: | 0.7122 |
| logD: | -4.861 |
| logSw: | -1.9842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.015 |
| InChI Key: | HUVJTEMJDGPJTP-GCJKJVERSA-N |