3-(4-ethoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0054 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C20 H22 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(N2CCCCC2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.9177 |
| logD: | 2.9161 |
| logSw: | -3.3916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.812 |
| InChI Key: | ANKXCTSBPYUVKU-UHFFFAOYSA-N |