5-amino-N-(3,4-dimethylphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-dimethylphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-dimethylphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0442 |
| Compound Name: | 5-amino-N-(3,4-dimethylphenyl)-1-[2-(2-ethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | CCc1ccccc1NC(Cn1c(c(C(Nc2ccc(C)c(C)c2)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1757 |
| logD: | 3.1757 |
| logSw: | -3.0941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.739 |
| InChI Key: | QTWZOJLRVAHLMU-UHFFFAOYSA-N |