{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-2010 |
| Compound Name: | {[6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C23 H20 N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC#N)c2ccc(cc2)OCC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7958 |
| logD: | 4.7958 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.841 |
| InChI Key: | HKNRGYIANBGGTD-UHFFFAOYSA-N |