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 |