5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3567 |
| Compound Name: | 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 518.1 |
| Molecular Formula: | C22 H16 Cl N3 O2 S4 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCc2csc3ccc(cc23)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9775 |
| logD: | 5.9765 |
| logSw: | -6.0768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.166 |
| InChI Key: | SKAUFSIBNJHAML-UHFFFAOYSA-N |