1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7653-2962 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H18 N2 O6 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(o1)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0481 |
| logD: | 2.0481 |
| logSw: | -2.6457 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.395 |
| InChI Key: | DVLVXQYZBGAQID-UHFFFAOYSA-N |