5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0066 |
| Compound Name: | 5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C21 H24 N6 O4 |
| Smiles: | CCc1ccccc1NC(Cn1c(c(C(Nc2ccc(c(c2)OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7232 |
| logD: | 1.7231 |
| logSw: | -2.5192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107 |
| InChI Key: | ZLGOXMQBAKCTSN-UHFFFAOYSA-N |