{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | A0019340 |
| Compound Name: | {[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C23 H20 N4 O S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2c1c(C)cccc1C)=S)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 5.0688 |
| logD: | 5.0688 |
| logSw: | -4.7059 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 43.514 |
| InChI Key: | MMZVHAFKCFTSSA-UHFFFAOYSA-N |