2-{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-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-{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-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-{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-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: | K286-0912 |
| Compound Name: | 2-{[6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-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: | 583.73 |
| Molecular Formula: | C25 H21 N5 O4 S4 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6064 |
| logD: | 4.6061 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.25 |
| InChI Key: | KRQFVAYNEBORBH-UHFFFAOYSA-N |