1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1508 |
| Compound Name: | 1-({(2S,4S)-1-[(4-ethoxyphenyl)acetyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C21 H28 F N5 O3 |
| Smiles: | CCOc1ccc(CC(N2C[C@H](C[C@H]2Cn2cc(C(NC(C)C)=O)nn2)F)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8177 |
| logD: | 1.8177 |
| logSw: | -2.1106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.601 |
| InChI Key: | KVPSANADDOXUQB-DLBZAZTESA-N |