1-{[(2S)-4,4-difluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1408 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C21 H22 F2 N6 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(c2ccc3ccccc3n2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6136 |
| logD: | 1.6136 |
| logSw: | -2.4235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.545 |
| InChI Key: | XEFADLHVPSXTDT-OAHLLOKOSA-N |