5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0804 |
| Compound Name: | 5-amino-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.46 |
| Molecular Formula: | C21 H24 N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(N)n(CC(Nc2ccc(C)c(C)c2)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3691 |
| logD: | 3.3691 |
| logSw: | -3.4244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.437 |
| InChI Key: | IOTYZGOGKOHOCR-UHFFFAOYSA-N |