3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1198 |
| Compound Name: | 3-(3,4-dimethylphenyl)-5-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-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: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCC1OCCO1 |
| Stereo: | ACHIRAL |
| logP: | 5.0301 |
| logD: | 5.0301 |
| logSw: | -4.6145 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.616 |
| InChI Key: | NAWXILJKEBCWHU-UHFFFAOYSA-N |