1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1563 |
| Compound Name: | 1-{[(2S,4S)-1-(5-bromofuran-2-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.26 |
| Molecular Formula: | C16 H19 Br F N5 O4 |
| Smiles: | COCCNC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(o2)[Br])=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8147 |
| logD: | 0.8147 |
| logSw: | -1.7424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.14 |
| InChI Key: | NTRQYXDEXVZHAY-MNOVXSKESA-N |