5-amino-N-(3,4-dimethoxyphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0077 |
| Compound Name: | 5-amino-N-(3,4-dimethoxyphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(Cn1c(c(C(Nc2ccc(c(c2)OC)OC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7369 |
| logD: | 1.7368 |
| logSw: | -2.4515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.302 |
| InChI Key: | XCASUYDYWMRMPW-UHFFFAOYSA-N |