3-(4-chloro-3-methylphenyl)-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-(4-chloro-3-methylphenyl)-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-(4-chloro-3-methylphenyl)-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: | K286-1773 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-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: | 548.1 |
| Molecular Formula: | C24 H22 Cl N3 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(c(C)c1)[Cl])=S)SCC1OCCO1 |
| Stereo: | ACHIRAL |
| logP: | 5.2731 |
| logD: | 5.2731 |
| logSw: | -5.8541 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 51.616 |
| InChI Key: | DYYUTKGHZQYUAW-UHFFFAOYSA-N |