2-ethyl-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]butan-1-one
2-ethyl-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | SB21-1132 |
| Compound Name: | 2-ethyl-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]butan-1-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C18 H28 F N5 O2 |
| Smiles: | CCC(CC)C(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8128 |
| logD: | 1.8128 |
| logSw: | -1.6306 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.631 |
| InChI Key: | GYKXAOOZOVYIKJ-LSDHHAIUSA-N |