N-benzyl-1-{[(2S)-1-(N,N-dimethylglycyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(N,N-dimethylglycyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(N,N-dimethylglycyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1172 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(N,N-dimethylglycyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 406.43 |
| Molecular Formula: | C19 H24 F2 N6 O2 |
| Smiles: | CN(C)CC(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5207 |
| logD: | 0.2348 |
| logSw: | -1.6581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.39 |
| InChI Key: | CNYNPXDPOCELHX-OAHLLOKOSA-N |