{[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-1775 |
| Compound Name: | {[3-(4-chloro-3-methylphenyl)-6-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 501.05 |
| Molecular Formula: | C22 H17 Cl N4 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(c(C)c1)[Cl])=S)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 5.2406 |
| logD: | 5.2406 |
| logSw: | -5.7274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.841 |
| InChI Key: | PDBCWLHWLVYKBK-UHFFFAOYSA-N |