7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V027-7536 |
Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 476.55 |
Molecular Formula: | C27 H29 F N4 O3 |
Salt: | not_available |
Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(CC2CCCO2)C(N3c2ccc(cc2)F)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2172 |
logD: | 4.2172 |
logSw: | -4.202 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.929 |
InChI Key: | KCCCTNPHEOPKIW-JOCHJYFZSA-N |