{[3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
{[3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | K286-1206 |
| Compound Name: | {[3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C23 H21 N3 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4986 |
| logD: | 1.9179 |
| logSw: | -4.1906 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.734 |
| InChI Key: | APHJRLOVAQVEOZ-UHFFFAOYSA-N |