1-{[(2S,4S)-4-fluoro-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1346 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.39 |
| Molecular Formula: | C17 H19 F N8 O3 |
| Smiles: | Cc1c(Cn2cccn2)c(C(N2C[C@H](C[C@H]2Cn2cc(C(N)=O)nn2)F)=O)no1 |
| Stereo: | ABSOLUTE |
| logP: | -0.81 |
| logD: | -0.81 |
| logSw: | -0.0589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.159 |
| InChI Key: | ZMIKAFIYPBKDES-NWDGAFQWSA-N |