1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-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]-2-(4-methoxyphenoxy)ethan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SB21-1134 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C21 H26 F N5 O4 |
| Smiles: | COc1ccc(cc1)OCC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2633 |
| logD: | 1.2633 |
| logSw: | -1.5986 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.875 |
| InChI Key: | CFUDEEFCNOSUJS-JKSUJKDBSA-N |