1-({(2S,4S)-4-fluoro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1525 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H31 F N6 O3 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2cc(C)n(CCOC)c2C)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9119 |
| logD: | 0.9119 |
| logSw: | -1.9472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.519 |
| InChI Key: | GLASWHVGTKHORQ-DLBZAZTESA-N |