5-(dimethylsulfaniumyl)-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Chemical Structure Depiction of
5-(dimethylsulfaniumyl)-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
5-(dimethylsulfaniumyl)-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Compound characteristics
Compound ID: | 8012-6191 |
Compound Name: | 5-(dimethylsulfaniumyl)-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate |
Molecular Weight: | 310.34 |
Molecular Formula: | C14 H15 F N2 O3 S |
Smiles: | C[S+](C)C1=C(N(CCc2ccc(cc2)F)C(NC1=O)=O)[O-] |
Stereo: | ACHIRAL |
logP: | 1.4269 |
logD: | 1.4269 |
logSw: | -2.2553 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.067 |
InChI Key: | RBMGRBQMFWSYDN-UHFFFAOYSA-N |