3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1063 |
| Compound Name: | 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-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: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7117 |
| logD: | 4.7117 |
| logSw: | -4.4688 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.192 |
| InChI Key: | SVSMNZNJCSLADC-UHFFFAOYSA-N |