4,5,6-triethoxy-7-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
4,5,6-triethoxy-7-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
4,5,6-triethoxy-7-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-8851 |
| Compound Name: | 4,5,6-triethoxy-7-({[5-(3-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-benzofuran-1(3H)-one |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CCOc1c2COC(c2c(CSc2nnc(c3cccc(c3)OC)n2C)c(c1OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8619 |
| logD: | 4.8619 |
| logSw: | -4.8115 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.058 |
| InChI Key: | RJCUFYHCXXZFLA-UHFFFAOYSA-N |