3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1696 |
| Compound Name: | 3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 547.09 |
| Molecular Formula: | C24 H20 Cl F N4 O2 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(N(C(=N2)SCC(N2CCCC2)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.3561 |
| logD: | 5.3561 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.713 |
| InChI Key: | BISCYDVTFPQEPO-UHFFFAOYSA-N |