3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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: | K286-3614 |
| Compound Name: | 3-(2,4-dimethylphenyl)-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: | CC1CCN(CC1)C(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccc(C)cc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6732 |
| logD: | 5.6732 |
| logSw: | -5.4384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.046 |
| InChI Key: | JMNHGSHLKFIYEU-UHFFFAOYSA-N |