5-amino-N-(2,4-dimethoxyphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,4-dimethoxyphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,4-dimethoxyphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0638 |
| Compound Name: | 5-amino-N-(2,4-dimethoxyphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | Cc1ccc(cc1)NC(Cn1c(c(C(Nc2ccc(cc2OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0556 |
| logD: | 2.0553 |
| logSw: | -2.9577 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.913 |
| InChI Key: | KKCBQFHQCJRZST-UHFFFAOYSA-N |