ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate
Chemical Structure Depiction of
ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate
ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate
Compound characteristics
| Compound ID: | 8020-2833 |
| Compound Name: | ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate |
| Molecular Weight: | 553.59 |
| Molecular Formula: | C27 H27 N3 O8 S |
| Smiles: | CCOC(c1cc(CSc2nnc(c3cc(c(c(c3)OC)OC)OC)n2c2ccc3c(c2)OCO3)c(C)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7445 |
| logD: | 4.7444 |
| logSw: | -4.6172 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.885 |
| InChI Key: | MXCSJRUPOWSRDU-UHFFFAOYSA-N |