3-(2,5-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,5-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3322 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 541.71 |
| Molecular Formula: | C26 H27 N3 O4 S3 |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1cc(ccc1OC)OC)=S)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6565 |
| logD: | 5.6565 |
| logSw: | -5.4339 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 55.045 |
| InChI Key: | QLZOAFUQFCRXGG-UHFFFAOYSA-N |