6,7-dimethoxy-3-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
6,7-dimethoxy-3-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-2-benzofuran-1(3H)-one
6,7-dimethoxy-3-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8018-2571 |
| Compound Name: | 6,7-dimethoxy-3-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-2-benzofuran-1(3H)-one |
| Molecular Weight: | 322.34 |
| Molecular Formula: | C13 H14 N4 O4 S |
| Smiles: | COc1ccc2C(Nc3nc([nH]n3)SC)OC(c2c1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6866 |
| logD: | 1.5703 |
| logSw: | -2.382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.708 |
| InChI Key: | UUSHPSLVBFCFIZ-JTQLQIEISA-N |