3-(4-ethylphenyl)-6-(4-fluorophenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-6-(4-fluorophenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethylphenyl)-6-(4-fluorophenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3686 |
| Compound Name: | 3-(4-ethylphenyl)-6-(4-fluorophenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 554.73 |
| Molecular Formula: | C27 H27 F N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(N2CCC(C)CC2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.4606 |
| logD: | 5.4606 |
| logSw: | -5.333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.347 |
| InChI Key: | VKIGSEKODHMVAG-UHFFFAOYSA-N |