{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | A0019147 |
| Compound Name: | {[6-(2-methoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C20 H14 N4 O2 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.2339 |
| logD: | 3.2339 |
| logSw: | -3.5751 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.047 |
| InChI Key: | ZARCALWLHSPAIZ-UHFFFAOYSA-N |