1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1250 |
| Compound Name: | 1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 386.18 |
| Molecular Formula: | C13 H13 Br F N5 O3 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(c1ccc(o1)[Br])=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4964 |
| logD: | 0.4964 |
| logSw: | -1.3922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.33 |
| InChI Key: | NUBPITBPLFVASJ-SFYZADRCSA-N |