3-{(2S,4S)-4-(benzyloxy)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-4-(benzyloxy)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-4-(benzyloxy)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0256 |
| Compound Name: | 3-{(2S,4S)-4-(benzyloxy)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C21 H22 F2 N4 O |
| Smiles: | Cc1nc([C@@H]2C[C@@H](CN2Cc2ccc(c(c2)F)F)OCc2ccccc2)n[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4918 |
| logD: | 3.4895 |
| logSw: | -3.7029 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.269 |
| InChI Key: | XCXJKKLMUGLOBV-XLIONFOSSA-N |