3-(2,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2740 |
| Compound Name: | 3-(2,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C24 H23 N3 O4 S3 |
| Smiles: | Cc1ccc(c(C)c1)N1C2=C(C(N(C(=N2)SCC2OCCO2)c2ccccc2OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5313 |
| logD: | 4.5313 |
| logSw: | -4.3488 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.521 |
| InChI Key: | ZCTBBGBRIAZEML-UHFFFAOYSA-N |