1-(3,4-dimethoxyphenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(3,4-dimethoxyphenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3103-0090 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C21 H22 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)C(CSc1nnc(c2cc(c(c(c2)OC)OC)OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.644 |
| logD: | 2.644 |
| logSw: | -3.0243 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.55 |
| InChI Key: | CPMXHXWMJMIWQJ-UHFFFAOYSA-N |