{[3-(4-chloro-3-methylphenyl)-6-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-1756 |
| Compound Name: | {[3-(4-chloro-3-methylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 487.02 |
| Molecular Formula: | C21 H15 Cl N4 O2 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(N(C(=N2)SCC#N)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.731 |
| logD: | 4.731 |
| logSw: | -4.8833 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.047 |
| InChI Key: | QKKKFMUVACMTGB-UHFFFAOYSA-N |