N-benzyl-1-({(2S)-4,4-difluoro-1-[3-(1H-pyrazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-({(2S)-4,4-difluoro-1-[3-(1H-pyrazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-({(2S)-4,4-difluoro-1-[3-(1H-pyrazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0800 |
| Compound Name: | N-benzyl-1-({(2S)-4,4-difluoro-1-[3-(1H-pyrazol-1-yl)propanoyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H23 F2 N7 O2 |
| Smiles: | C(Cn1cccn1)C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9442 |
| logD: | 0.9442 |
| logSw: | -1.6674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.004 |
| InChI Key: | PFIIXIRRQQRNGW-QGZVFWFLSA-N |