5-amino-N-(2-methylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2-methylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2-methylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1519 |
| Compound Name: | 5-amino-N-(2-methylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(Cn1c(c(C(Nc2ccccc2C)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1951 |
| logD: | 2.195 |
| logSw: | -2.719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.343 |
| InChI Key: | GRUMTOCXYLPOLA-UHFFFAOYSA-N |