1-({(2S,4S)-1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0886 |
| Compound Name: | 1-({(2S,4S)-1-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 417.83 |
| Molecular Formula: | C18 H17 Cl F N7 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(N)=O)nn2)N(C[C@H]1F)C(c1cc(c2cccc(c2)[Cl])n[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.739 |
| logD: | 1.738 |
| logSw: | -2.7378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.894 |
| InChI Key: | WSLOUUZGSBFITC-OLZOCXBDSA-N |