3-{(2S,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0547 |
| Compound Name: | 3-{(2S,4S)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 394.52 |
| Molecular Formula: | C22 H30 N6 O |
| Smiles: | CCn1cc(CN2C[C@H](C[C@H]2c2nc(C)[nH]n2)OCc2cccc(C)c2)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.7612 |
| logD: | 0.3899 |
| logSw: | -2.8248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.124 |
| InChI Key: | XJYLEJNQLVHSID-LEWJYISDSA-N |