4,5,6-triethoxy-7-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
4,5,6-triethoxy-7-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
4,5,6-triethoxy-7-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-8972 |
| Compound Name: | 4,5,6-triethoxy-7-({[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C30 H31 N3 O6 S |
| Smiles: | CCOc1c2COC(c2c(CSc2nnc(c3ccccc3OC)n2c2ccccc2)c(c1OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8518 |
| logD: | 5.8518 |
| logSw: | -5.659 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.806 |
| InChI Key: | NNHKWZLSUGFLQR-UHFFFAOYSA-N |