1-{[(2S,4S)-4-fluoro-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1477 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(5-fluoro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C18 H23 F2 N5 O3 S |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2S(c2cc(ccc2C)F)(=O)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7843 |
| logD: | 1.7843 |
| logSw: | -2.5473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.844 |
| InChI Key: | PPIIQBPZRFWHQV-CABCVRRESA-N |