1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-6490 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 310.39 |
| Molecular Formula: | C13 H14 N2 O3 S2 |
| Smiles: | Cc1nnc(SCC(c2ccc(c(c2)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0634 |
| logD: | 2.0634 |
| logSw: | -2.6306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.146 |
| InChI Key: | PIWKHUBNBVPKDI-UHFFFAOYSA-N |