1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-1048 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C22 H27 F2 N5 O3 |
| Smiles: | CCOc1ccc(CC(N2CC(C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)(F)F)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.288 |
| logD: | 2.288 |
| logSw: | -2.4789 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.956 |
| InChI Key: | RBEBIYDMTCCESH-QGZVFWFLSA-N |