7-benzyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
7-benzyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
7-benzyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
Compound ID: | G656-0770 |
Compound Name: | 7-benzyl-9-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
Molecular Weight: | 485.54 |
Molecular Formula: | C26 H20 F N5 O2 S |
Smiles: | CSc1ccc(cc1)c1nc(C(N)=O)c2c(n1)N(C(N2Cc1ccccc1)=O)c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 5.9065 |
logD: | 5.9065 |
logSw: | -5.5805 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.806 |
InChI Key: | XRMSIYACGLNARD-UHFFFAOYSA-N |