1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0305 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(isoquinoline-1-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H23 F N6 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2C[C@@H](CN2C(c2c3ccccc3ccn2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8463 |
| logD: | 0.8463 |
| logSw: | -2.0959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.761 |
| InChI Key: | PINOXFNWLAQMOE-JKSUJKDBSA-N |