7-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-3783 |
| Compound Name: | 7-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 563.59 |
| Molecular Formula: | C28 H25 N3 O8 S |
| Smiles: | COc1c2COC(c2c(CSc2nnc(COc3ccc4c(c3)OCO4)n2c2ccccc2)c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0647 |
| logD: | 4.0647 |
| logSw: | -4.3742 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.027 |
| InChI Key: | VOSIMFQJPDPYNC-UHFFFAOYSA-N |