5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4210 |
| Compound Name: | 5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C26 H19 N3 O4 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC(c2ccc(c(c2)O)O)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.6722 |
| logD: | 4.4898 |
| logSw: | -4.1421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.997 |
| InChI Key: | NNBIAQJRLOHMHP-UHFFFAOYSA-N |