3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3938 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 567.65 |
| Molecular Formula: | C27 H19 F2 N3 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(c2ccc(cc2)F)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.4155 |
| logD: | 5.4155 |
| logSw: | -5.4415 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.111 |
| InChI Key: | KGLSSTYDNYMRFN-UHFFFAOYSA-N |