N-(3,4-dimethoxyphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
N-(3,4-dimethoxyphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | F414-0973 |
Compound Name: | N-(3,4-dimethoxyphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 357.34 |
Molecular Formula: | C17 H16 F N5 O3 |
Smiles: | COc1ccc(cc1OC)NC(c1c(Nc2ccc(cc2)F)[nH]nn1)=O |
Stereo: | ACHIRAL |
logP: | 2.2676 |
logD: | 2.2017 |
logSw: | -3.1174 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 84.816 |
InChI Key: | DXMZQMNIIWFQQN-UHFFFAOYSA-N |