1-{[(2S)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0135 |
| Compound Name: | 1-{[(2S)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C14 H19 F2 N7 O3 S |
| Smiles: | Cc1nc(cn1C)S(N1CC(C[C@H]1Cn1cc(C(NC)=O)nn1)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.6053 |
| logD: | -0.6053 |
| logSw: | -1.6508 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.37 |
| InChI Key: | CKBHHIPYGZJMQP-JTQLQIEISA-N |