5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4329 |
| Compound Name: | 5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C24 H17 N3 O5 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCC(c2ccc(c(c2)O)O)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.9732 |
| logD: | 3.7909 |
| logSw: | -3.9249 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.658 |
| InChI Key: | OYJVOMPDMMHGDK-UHFFFAOYSA-N |