N-benzyl-1-{[(2S)-4,4-difluoro-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1163 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C20 H19 F2 N7 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(CC1(F)F)C(c1cnccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.843 |
| logD: | 0.843 |
| logSw: | -1.3224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.325 |
| InChI Key: | UJTAWELULLWKNQ-OAHLLOKOSA-N |