2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F092-0532 |
| Compound Name: | 2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C21 H18 N4 O2 S4 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(Nc2cccc(c2)SC)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1702 |
| logD: | 4.1686 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.445 |
| InChI Key: | JGHUNZURCVQYNE-UHFFFAOYSA-N |