5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2000 |
| Compound Name: | 5-amino-N-(3-chloro-4-fluorophenyl)-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 453.26 |
| Molecular Formula: | C18 H15 Cl2 F N6 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(Cn1c(c(C(Nc2ccc(c(c2)[Cl])F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9295 |
| logD: | 2.9094 |
| logSw: | -3.3989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.067 |
| InChI Key: | SQESNJPWDWJPOP-UHFFFAOYSA-N |