N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyridine-3-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyridine-3-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyridine-3-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1686 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyridine-3-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C20 H21 F N6 O3 S |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C[C@H]1F)S(c1cccnc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1077 |
| logD: | 1.1077 |
| logSw: | -1.7442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.116 |
| InChI Key: | CHIGJQIAHYPXAU-SJORKVTESA-N |