5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0462 |
| Compound Name: | 5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C19 H18 Cl2 N6 O2 |
| Smiles: | Cc1ccc(cc1NC(Cn1c(c(C(NCc2ccc(cc2)[Cl])=O)nn1)N)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3319 |
| logD: | 2.3317 |
| logSw: | -3.2899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.061 |
| InChI Key: | ZUTGFSJQAOZACN-UHFFFAOYSA-N |