(1-{[(2S)-1-(3,4-difluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S)-1-(3,4-difluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S)-1-(3,4-difluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB36-1001 |
| Compound Name: | (1-{[(2S)-1-(3,4-difluorobenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 425.38 |
| Molecular Formula: | C19 H19 F4 N5 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(c2ccc(c(c2)F)F)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1288 |
| logD: | 2.1288 |
| logSw: | -2.7215 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.36 |
| InChI Key: | CGLFFKJIMIVDAF-ZDUSSCGKSA-N |