5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-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-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3828 |
| Compound Name: | 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 568.11 |
| Molecular Formula: | C27 H19 Cl F N3 O2 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(c2ccc(cc2)[Cl])=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.7911 |
| logD: | 6.7911 |
| logSw: | -6.4163 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.201 |
| InChI Key: | RSQFNXVCKRKMJX-UHFFFAOYSA-N |