6-(2-methoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3993 |
| Compound Name: | 6-(2-methoxyphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(2-phenylethyl)-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: | CC1CCN(CC1)C(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2CCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.935 |
| logD: | 4.9349 |
| logSw: | -4.5512 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.266 |
| InChI Key: | XVKUTJVKPACIDM-UHFFFAOYSA-N |