6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2016 |
| Compound Name: | 6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C27 H28 N4 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(N2CCCC2)=O)c2ccc(cc2)OCC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2512 |
| logD: | 5.2512 |
| logSw: | -4.9307 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 50.837 |
| InChI Key: | ZFIZVASKQOCSOP-UHFFFAOYSA-N |