1-({(2S,4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1100 |
| Compound Name: | 1-({(2S,4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 412.82 |
| Molecular Formula: | C17 H19 Cl F2 N6 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(Nc2ccc(c(c2)[Cl])F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1907 |
| logD: | 1.1905 |
| logSw: | -2.7367 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.167 |
| InChI Key: | DZAPJYODLRHTAM-PWSUYJOCSA-N |