5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4259 |
| Compound Name: | 5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-[(furan-2-yl)methyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 534.02 |
| Molecular Formula: | C23 H14 Cl F2 N3 O2 S3 |
| Smiles: | C(c1ccco1)N1C2=C(C(N(C(=N2)SCc2ccc(cc2[Cl])F)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1675 |
| logD: | 6.1675 |
| logSw: | -6.3399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 35.315 |
| InChI Key: | COMFDVQTKBPPQG-UHFFFAOYSA-N |