[rel-(3aR,6aR)-5-[(1-ethyl-5-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-ethyl-5-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-ethyl-5-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: | SB47-0629 |
| Compound Name: | [rel-(3aR,6aR)-5-[(1-ethyl-5-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: | 419.53 |
| Molecular Formula: | C23 H29 N7 O |
| Smiles: | CCn1c(C)c(CN2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3517 |
| logD: | -7.8173 |
| logSw: | -1.913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.136 |
| InChI Key: | MHRZIOOGKVHZFF-OFNKIYASSA-N |