1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1H-pyrazol-1-yl)propan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SB21-1228 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H24 F N7 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2C[C@@H](CN2C(CCn2cccn2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1781 |
| logD: | -0.1782 |
| logSw: | -0.0484 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.605 |
| InChI Key: | TUBLPGGGKIBPHF-LSDHHAIUSA-N |