5-amino-1-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | IB09-1898 |
| Compound Name: | 5-amino-1-(4-methoxyphenyl)-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | COc1ccc(cc1)n1c(c(C(Nc2cccc(c2)SC)=O)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 2.62 |
| logD: | 2.62 |
| logSw: | -3.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 175.67 |
| InChI Key: | JEAAUVQWFRNNCG-UHFFFAOYSA-N |