5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0719 |
| Compound Name: | 5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1c(c(C(Nc2cccc(c2)SC)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8427 |
| logD: | 2.8426 |
| logSw: | -3.2239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.437 |
| InChI Key: | PITUIOGUHDGHEH-UHFFFAOYSA-N |