1-({(2S,4S)-1-[(3,4-dimethylphenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[(3,4-dimethylphenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(3,4-dimethylphenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1522 |
| Compound Name: | 1-({(2S,4S)-1-[(3,4-dimethylphenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H27 F N6 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(Nc2ccc(C)c(C)c2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5171 |
| logD: | 2.5171 |
| logSw: | -2.7723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.826 |
| InChI Key: | QHUUYMAYVORFLE-DOTOQJQBSA-N |