6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0917 |
| Compound Name: | 6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C26 H26 N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4844 |
| logD: | 4.4844 |
| logSw: | -4.3065 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 58.38 |
| InChI Key: | BMYRJGYLXPCQNK-UHFFFAOYSA-N |