5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-1496 |
| Compound Name: | 5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | Cc1ccc(CNC(c2c(N)n(CC(Nc3ccc(C)c(C)c3)=O)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6908 |
| logD: | 2.6908 |
| logSw: | -2.9191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | XHAGMOBQHNLCOU-UHFFFAOYSA-N |