1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-methylbutan-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-methylbutan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | SB21-1133 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C17 H26 F N5 O2 |
| Smiles: | CC(C)CC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3131 |
| logD: | 1.3131 |
| logSw: | -1.4287 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.104 |
| InChI Key: | RTHNLYVWRKGFCZ-UONOGXRCSA-N |