5-(4-methylanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(4-methylanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-(4-methylanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0086 |
| Compound Name: | 5-(4-methylanilino)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 339.42 |
| Molecular Formula: | C17 H17 N5 O S |
| Smiles: | Cc1ccc(cc1)Nc1c(C(Nc2cccc(c2)SC)=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.5879 |
| logD: | 3.522 |
| logSw: | -3.7581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.555 |
| InChI Key: | XYTSXKXDUAUFDZ-UHFFFAOYSA-N |