1-[rel-(3aR,6aR)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
1-[rel-(3aR,6aR)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB47-0193 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 449.56 |
| Molecular Formula: | C24 H31 N7 O2 |
| Smiles: | CCC(N1C[C@H]2CN(Cc3ccc(c(Cn4cccn4)c3)OC)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4793 |
| logD: | -3.3569 |
| logSw: | -2.2367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.109 |
| InChI Key: | HLSVOBJVPOWULT-YKSBVNFPSA-N |