7-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-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-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-8950 |
| Compound Name: | 7-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | COc1c2COC(c2c(CSc2nnc(C3COc4ccccc4O3)n2c2ccccc2)c(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6296 |
| logD: | 4.6296 |
| logSw: | -4.6796 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.873 |
| InChI Key: | RWUMRYDXNVCOTP-NRFANRHFSA-N |