1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-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]-4-phenylbutan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB36-1010 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-4-phenylbutan-1-one |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H27 F2 N5 O2 |
| Smiles: | C(CC(N1CC(C[C@H]1Cn1cc(C(N2CCCC2)=O)nn1)(F)F)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9336 |
| logD: | 2.9336 |
| logSw: | -3.0756 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.833 |
| InChI Key: | FCXBLLMHPRATPR-GOSISDBHSA-N |