5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0078 |
| Compound Name: | 5-amino-1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.88 |
| Molecular Formula: | C20 H21 Cl N6 O4 |
| Smiles: | Cc1ccc(cc1NC(Cn1c(c(C(Nc2ccc(c(c2)OC)OC)=O)nn1)N)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6808 |
| logD: | 1.6806 |
| logSw: | -2.7713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107 |
| InChI Key: | PWSLNQQLBSBRRG-UHFFFAOYSA-N |