1-({(2S,4S)-4-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]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-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1462 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C21 H30 F N5 O4 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2Cc2cc(c(c(c2)OC)OC)OC)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3451 |
| logD: | 0.6175 |
| logSw: | -2.1209 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.232 |
| InChI Key: | IKSQGMQRJJBROI-JKSUJKDBSA-N |