1-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0113 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C16 H19 F2 N5 O4 S |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2S(c2cccc(c2)OC)(=O)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8844 |
| logD: | 0.8844 |
| logSw: | -2.4678 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.564 |
| InChI Key: | MSNQYHZFSUFNGE-NSHDSACASA-N |