1-{[(2S,4S)-1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1328 |
| Compound Name: | 1-{[(2S,4S)-1-(1,4-dihydro[1]benzopyrano[4,3-c]pyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 411.39 |
| Molecular Formula: | C19 H18 F N7 O3 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(c1c2COc3ccccc3c2[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4038 |
| logD: | 0.4038 |
| logSw: | -2.0735 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.896 |
| InChI Key: | KRHHKEIQEMJAJH-WDEREUQCSA-N |