N-benzyl-1-{[(2S,4S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0451 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H24 F N7 O2 |
| Smiles: | Cc1cc(C(N2C[C@H](C[C@H]2Cn2cc(C(NCc3ccccc3)=O)nn2)F)=O)nn1C |
| Stereo: | ABSOLUTE |
| logP: | 0.8687 |
| logD: | 0.8687 |
| logSw: | -1.7668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.245 |
| InChI Key: | YAUXBMAMRXFAEC-DLBZAZTESA-N |