{[6-(3-chlorophenyl)-3-(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
{[6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
{[6-(3-chlorophenyl)-3-(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: | A0019040 |
| Compound Name: | {[6-(3-chlorophenyl)-3-(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: | 471.02 |
| Molecular Formula: | C21 H15 Cl N4 O S3 |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(=N2)SCC#N)c2cccc(c2)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.922 |
| logD: | 4.922 |
| logSw: | -4.8895 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.116 |
| InChI Key: | BKVNUWZYKNHWON-UHFFFAOYSA-N |