1-{[(2S)-1-(3,4-dimethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(3,4-dimethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(3,4-dimethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0101 |
| Compound Name: | 1-{[(2S)-1-(3,4-dimethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.44 |
| Molecular Formula: | C17 H21 F2 N5 O5 S |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2S(c2ccc(c(c2)OC)OC)(=O)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.511 |
| logD: | 0.511 |
| logSw: | -2.5085 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.281 |
| InChI Key: | PMIWZLXWLLGKHU-NSHDSACASA-N |