3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SB21-0239 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]propan-1-one |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H27 F N6 O3 |
| Smiles: | Cc1c(CCC(N2C[C@H](C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)F)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9099 |
| logD: | 0.9099 |
| logSw: | -0.803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.871 |
| InChI Key: | QHFGVHGRKWACKT-JKSUJKDBSA-N |