2-(azepan-1-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
2-(azepan-1-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB21-1226 |
| Compound Name: | 2-(azepan-1-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H31 F N6 O2 |
| Smiles: | C1CCCN(CC1)CC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9331 |
| logD: | 0.2822 |
| logSw: | -0.9274 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.168 |
| InChI Key: | XIEPJXQHCZCRAV-DLBZAZTESA-N |