1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0165 |
| Compound Name: | 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C14 H20 N6 O2 |
| Smiles: | Cc1cnn(CC(N2C[C@H](C[C@H]2c2nc(C)[nH]n2)OC)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 0.0546 |
| logD: | 0.0532 |
| logSw: | -0.8958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.585 |
| InChI Key: | ZAFKWNUJJNEQKY-NEPJUHHUSA-N |