5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0080 |
| Compound Name: | 5-amino-1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 460.88 |
| Molecular Formula: | C20 H21 Cl N6 O5 |
| Smiles: | COc1ccc(cc1OC)NC(c1c(N)n(CC(Nc2ccc(c(c2)[Cl])OC)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7343 |
| logD: | 1.734 |
| logSw: | -2.7772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.328 |
| InChI Key: | QEHCWRZMPCVRLL-UHFFFAOYSA-N |