5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0996 |
| Compound Name: | 5-amino-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C19 H19 F N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(Cn1c(c(C(Nc2cccc(c2)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.377 |
| logD: | 1.3767 |
| logSw: | -2.2722 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.698 |
| InChI Key: | LQXQTEFJHJFOPI-UHFFFAOYSA-N |