1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1258 |
| Compound Name: | 1-{[(2S)-1-(2,3-dimethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 409.39 |
| Molecular Formula: | C18 H21 F2 N5 O4 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2cccc(c2OC)OC)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8162 |
| logD: | 0.8162 |
| logSw: | -2.2031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | NSZNXOACAPLHBL-LLVKDONJSA-N |