2-{[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}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[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}-N-(1,3-thiazol-2-yl)acetamide
2-{[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}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | K286-1202 |
| Compound Name: | 2-{[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}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 581.76 |
| Molecular Formula: | C26 H23 N5 O3 S4 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.575 |
| logD: | 5.5748 |
| logSw: | -5.3149 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.706 |
| InChI Key: | METAYPVWZIZOFM-UHFFFAOYSA-N |