5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-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}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1902 |
| Compound Name: | 5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C23 H20 F N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4884 |
| logD: | 4.4884 |
| logSw: | -4.2434 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.493 |
| InChI Key: | CECBJJTUCWSDTP-UHFFFAOYSA-N |