1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB21-1504 |
| Compound Name: | 1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 291.75 |
| Molecular Formula: | C11 H18 F N5 O |
| Salt: | HCl |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2334 |
| logD: | -0.4726 |
| logSw: | -0.8892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.118 |
| InChI Key: | HOLUCGFRMSPJPO-IUCAKERBSA-N |