1-{[(2S,4S)-1-(3,4-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3,4-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,4-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1269 |
| Compound Name: | 1-{[(2S,4S)-1-(3,4-difluorobenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 389.35 |
| Molecular Formula: | C14 H14 F3 N5 O3 S |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)S(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7834 |
| logD: | 0.7834 |
| logSw: | -2.2909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.244 |
| InChI Key: | WIDNYFWYPOUJOV-BDAKNGLRSA-N |