2-({3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
2-({3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
Compound ID: | V028-5557 |
Compound Name: | 2-({3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
Molecular Weight: | 469.45 |
Molecular Formula: | C26 H17 F2 N5 O2 |
Salt: | not_available |
Smiles: | C(c1ccccc1F)N1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 3.952 |
logD: | 3.952 |
logSw: | -4.2186 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 59.331 |
InChI Key: | YYAKHGCIJFREET-UHFFFAOYSA-N |