3-(2,4-dimethylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,4-dimethylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,4-dimethylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4057 |
| Compound Name: | 3-(2,4-dimethylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 547.69 |
| Molecular Formula: | C28 H22 F N3 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC(c2ccc(cc2)F)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.6353 |
| logD: | 6.6353 |
| logSw: | -5.6169 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.6 |
| InChI Key: | IIGQNVPOKACDBH-UHFFFAOYSA-N |