7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C692-0361 |
Compound Name: | 7-[(4-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 482.94 |
Molecular Formula: | C24 H24 Cl F N6 O2 |
Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccc(cc1)F)n2Cc1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7028 |
logD: | 3.7006 |
logSw: | -4.2662 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.587 |
InChI Key: | DJJZMJQNFPOQCS-UHFFFAOYSA-N |