{[3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[3-(2,4-dimethylphenyl)-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: | K286-2743 |
| Compound Name: | {[3-(2,4-dimethylphenyl)-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: | 466.6 |
| Molecular Formula: | C22 H18 N4 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC#N)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4988 |
| logD: | 4.4988 |
| logSw: | -4.3759 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.746 |
| InChI Key: | IIJSVKFPAXCCFF-UHFFFAOYSA-N |