5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2008 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 527.68 |
| Molecular Formula: | C25 H25 N3 O4 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccc(cc2)OCC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8283 |
| logD: | 4.8283 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.616 |
| InChI Key: | BTGBERFPXGSMBI-UHFFFAOYSA-N |