5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3930 |
| Compound Name: | 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 540.1 |
| Molecular Formula: | C26 H19 Cl F N3 O S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2ccc(cc2)[Cl])c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.7866 |
| logD: | 6.7866 |
| logSw: | -6.3619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.9545 |
| InChI Key: | KTLPAQIRARHZCC-UHFFFAOYSA-N |