5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-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}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4198 |
| Compound Name: | 5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 526.07 |
| Molecular Formula: | C25 H17 Cl F N3 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCc2ccc(cc2[Cl])F)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.7159 |
| logD: | 6.7159 |
| logSw: | -6.2174 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 26.6536 |
| InChI Key: | XKUONCFNJHKASW-UHFFFAOYSA-N |