(1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1139 |
| Compound Name: | (1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 407.39 |
| Molecular Formula: | C19 H20 F3 N5 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(c(c2)F)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7776 |
| logD: | 1.7776 |
| logSw: | -1.9621 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.36 |
| InChI Key: | XGPKQQPIVIUWAX-KGLIPLIRSA-N |