5-[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
5-[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB35-1110 |
| Compound Name: | 5-[(2S)-4,4-difluoro-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-2-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 336.38 |
| Molecular Formula: | C17 H22 F2 N4 O |
| Smiles: | CC(C)Oc1ccc(CN2CC(C[C@H]2c2nc(C)n[nH]2)(F)F)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8528 |
| logD: | 2.8521 |
| logSw: | -3.18 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.33 |
| InChI Key: | QHBFKJGOQCUJNA-OAHLLOKOSA-N |