5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylphenyl)-6-phenyl-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}-3-(4-ethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3809 |
| Compound Name: | 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 550.12 |
| Molecular Formula: | C27 H20 Cl N3 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(c2ccc(cc2)[Cl])=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.4387 |
| logD: | 6.4387 |
| logSw: | -6.2866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.201 |
| InChI Key: | JEUZRGMNXCKYRL-UHFFFAOYSA-N |