7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0347 |
Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 400.45 |
Molecular Formula: | C20 H25 F N6 O2 |
Smiles: | CN1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1F |
Stereo: | ACHIRAL |
logP: | 1.8338 |
logD: | 0.8628 |
logSw: | -2.0223 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 50.89 |
InChI Key: | OFSBEVRYFRDLOV-UHFFFAOYSA-N |