1-({(2S)-1-[(2,5-dimethoxyphenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[(2,5-dimethoxyphenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[(2,5-dimethoxyphenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0176 |
| Compound Name: | 1-({(2S)-1-[(2,5-dimethoxyphenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C19 H23 F2 N5 O4 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(Cc2cc(ccc2OC)OC)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0665 |
| logD: | 1.0665 |
| logSw: | -2.1569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.828 |
| InChI Key: | WZZOHJOWIWSRDN-CYBMUJFWSA-N |