N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0801 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C20 H21 F2 N7 O2 |
| Smiles: | Cn1ccc(C(N2CC(C[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)(F)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.9114 |
| logD: | 0.9114 |
| logSw: | -1.641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.451 |
| InChI Key: | KPQNDOQHBYKXJA-OAHLLOKOSA-N |