(1-{[(2S,4S)-1-(3,5-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-1-(3,5-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-1-(3,5-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-1168 |
| Compound Name: | (1-{[(2S,4S)-1-(3,5-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C18 H20 F3 N5 O3 S |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2C[C@@H](CN2S(c2cc(cc(c2)F)F)(=O)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7256 |
| logD: | 1.7256 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.199 |
| InChI Key: | GOCQYXLXEWWWHQ-CABCVRRESA-N |