7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D226-0091 |
Compound Name: | 7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 434.47 |
Molecular Formula: | C23 H23 F N6 O2 |
Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)c1ccccc1)n2Cc1ccccc1F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0371 |
logD: | 4.037 |
logSw: | -4.0171 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.872 |
InChI Key: | UGWXHXRZNHNYPW-UHFFFAOYSA-N |