N-[rel-(3R,4S)-1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-0592 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C22 H27 N7 O3 |
| Smiles: | Cc1cc(C)n(CC(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2175 |
| logD: | 0.2131 |
| logSw: | -2.2123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.931 |
| InChI Key: | GVEKNUHZAHRMEY-QZTJIDSGSA-N |