3-(4-ethylphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethylphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4084 |
| Compound Name: | 3-(4-ethylphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 519.68 |
| Molecular Formula: | C27 H22 F N3 O S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cccc(c2)F)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.9859 |
| logD: | 6.9859 |
| logSw: | -5.6279 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.9545 |
| InChI Key: | HQTRTQSRIYPMSW-UHFFFAOYSA-N |