1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)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-(2-methylphenyl)ethan-1-one
1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB29-0187 |
| Compound Name: | 1-[(2S,4S)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | Cc1ccccc1CC(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3535 |
| logD: | 2.3521 |
| logSw: | -2.5411 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.808 |
| InChI Key: | RGRTVPXAYWDEIE-CABCVRRESA-N |