3-(4-ethoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-ethoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4150 |
| Compound Name: | 3-(4-ethoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C27 H28 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(N2CCC(C)CC2)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7483 |
| logD: | 4.7483 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 50.471 |
| InChI Key: | BJGJCQBUWWUKIH-UHFFFAOYSA-N |