5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-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-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0261 |
| Compound Name: | 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(furan-2-yl)methyl]-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C26 H20 Cl N3 O3 S3 |
| Smiles: | C(CN1C2=C(C(N(Cc3ccco3)C(=N2)SCC(c2ccc(cc2)[Cl])=O)=O)SC1=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9334 |
| logD: | 5.9334 |
| logSw: | -6.1907 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.152 |
| InChI Key: | CKFWKONPXSCGNN-UHFFFAOYSA-N |