N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB18-0630 |
| Compound Name: | N-[(3S,5S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | Cc1c(cn(C)n1)C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NC(COC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6833 |
| logD: | 0.6771 |
| logSw: | -1.9725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.984 |
| InChI Key: | NKSUMULZGFJEOI-WBVHZDCISA-N |