5-amino-N-(3,4-difluorophenyl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-difluorophenyl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-difluorophenyl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2101 |
| Compound Name: | 5-amino-N-(3,4-difluorophenyl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C19 H18 F2 N6 O2 |
| Smiles: | Cc1cccc(c1C)NC(Cn1c(c(C(Nc2ccc(c(c2)F)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6759 |
| logD: | 2.6557 |
| logSw: | -2.8616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.739 |
| InChI Key: | FKQKFRZCKPRUQL-UHFFFAOYSA-N |