3-(2-ethoxyphenyl)-6-(2-methylphenyl)-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-ethoxyphenyl)-6-(2-methylphenyl)-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-ethoxyphenyl)-6-(2-methylphenyl)-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: | K286-3677 |
| Compound Name: | 3-(2-ethoxyphenyl)-6-(2-methylphenyl)-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: | 566.76 |
| Molecular Formula: | C28 H30 N4 O3 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCC(N2CCC(C)CC2)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2515 |
| logD: | 5.2515 |
| logSw: | -5.0733 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.955 |
| InChI Key: | XGXQWHNAVJYPLB-UHFFFAOYSA-N |