1-{[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0860 |
| Compound Name: | 1-{[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]methyl}-N-benzyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 363.37 |
| Molecular Formula: | C17 H19 F2 N5 O2 |
| Smiles: | CC(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9996 |
| logD: | 0.9996 |
| logSw: | -1.6984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.498 |
| InChI Key: | CWVIPDDTFBHODC-CQSZACIVSA-N |