7-[(4-fluorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C692-0319 |
Compound Name: | 7-[(4-fluorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 466.49 |
Molecular Formula: | C24 H24 F2 N6 O2 |
Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccccc1F)n2Cc1ccc(cc1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.1651 |
logD: | 3.163 |
logSw: | -3.4351 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.286 |
InChI Key: | GDHDJAHRNLVMQQ-UHFFFAOYSA-N |