7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0092 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H21 F N6 O2 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(NC(N2C)=O)=O)n1Cc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.2198 |
| logD: | 0.6146 |
| logSw: | -2.8234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.088 |
| InChI Key: | FGCMPCKROVOCEI-UHFFFAOYSA-N |