3-{(2S,4S)-1-[(3,5-difluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-[(3,5-difluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-[(3,5-difluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0544 |
| Compound Name: | 3-{(2S,4S)-1-[(3,5-difluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C22 H24 F2 N4 O |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(Cc3cc(cc(c3)F)F)C2)c1 |
| Stereo: | ABSOLUTE |
| logP: | 4.3756 |
| logD: | 4.3731 |
| logSw: | -4.3945 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.269 |
| InChI Key: | DQUIXICZYXIUJQ-RTWAWAEBSA-N |