3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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: | K286-1086 |
Compound Name: | 3-(3,4-dimethylphenyl)-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: | 526.67 |
Molecular Formula: | C25 H23 F N4 O2 S3 |
Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(N2CCCC2)=O)c2ccc(cc2)F)=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 5.1131 |
logD: | 5.1131 |
logSw: | -4.9806 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 43.713 |
InChI Key: | BMSCMVLOGLIANV-UHFFFAOYSA-N |