5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C549-0185 |
Compound Name: | 5-amino-1-[(2-chloro-4-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 345.76 |
Molecular Formula: | C16 H13 Cl F N5 O |
Smiles: | C(c1ccc(cc1[Cl])F)n1c(c(C(Nc2ccccc2)=O)nn1)N |
Stereo: | ACHIRAL |
logP: | 2.7723 |
logD: | 2.7723 |
logSw: | -3.4266 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 69.287 |
InChI Key: | HVHGSZCFMXOWNL-UHFFFAOYSA-N |