1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-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]-4-phenylbutan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB21-1149 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H28 F N5 O2 |
| Smiles: | C(CC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.5824 |
| logD: | 2.5824 |
| logSw: | -2.5494 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.833 |
| InChI Key: | UZIIAORWVVSQNQ-RBUKOAKNSA-N |