5-amino-N-(3,4-dimethylphenyl)-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-dimethylphenyl)-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-dimethylphenyl)-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C368-0226 |
Compound Name: | 5-amino-N-(3,4-dimethylphenyl)-1-[2-(3-fluoroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 382.4 |
Molecular Formula: | C19 H19 F N6 O2 |
Smiles: | Cc1ccc(cc1C)NC(c1c(N)n(CC(Nc2cccc(c2)F)=O)nn1)=O |
Stereo: | ACHIRAL |
logP: | 2.8296 |
logD: | 2.8294 |
logSw: | -3.0849 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 92.437 |
InChI Key: | LGTCJGRGAHPDOO-UHFFFAOYSA-N |