1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0102 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-sulfonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C13 H17 F2 N7 O3 S |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2S(c2cn(C)cn2)(=O)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.9489 |
| logD: | -0.9489 |
| logSw: | -1.8496 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.432 |
| InChI Key: | GOSTWIITOWSTKK-VIFPVBQESA-N |