3-(2-fluoro-5-methylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-fluoro-5-methylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-fluoro-5-methylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3899 |
| Compound Name: | 3-(2-fluoro-5-methylphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C27 H19 F2 N3 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cc(C)ccc1F)=S)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.156 |
| logD: | 6.156 |
| logSw: | -5.4389 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 39.901 |
| InChI Key: | XPFIYFWKXPRVCP-UHFFFAOYSA-N |