5-amino-N-(3,4-difluorophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-difluorophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-difluorophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2086 |
| Compound Name: | 5-amino-N-(3,4-difluorophenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C18 H16 F2 N6 O3 |
| Smiles: | COc1ccc(cc1)NC(Cn1c(c(C(Nc2ccc(c(c2)F)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0277 |
| logD: | 2.0076 |
| logSw: | -2.9519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.981 |
| InChI Key: | IRFGGDBATYOWNT-UHFFFAOYSA-N |