5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4059 |
| Compound Name: | 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 594.17 |
| Molecular Formula: | C29 H24 Cl N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(c2ccc(cc2)[Cl])=O)c2ccc(cc2)OCC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.9292 |
| logD: | 6.9292 |
| logSw: | -6.4373 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.325 |
| InChI Key: | NXBPQDOQKLYTJW-UHFFFAOYSA-N |