7-[(2,5-dimethylphenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,5-dimethylphenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,5-dimethylphenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0306 |
| Compound Name: | 7-[(2,5-dimethylphenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H31 F N6 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(CC2)c2ccccc2F)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7352 |
| logD: | 4.7343 |
| logSw: | -4.5157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.373 |
| InChI Key: | JRHNKBLLAXGTMF-UHFFFAOYSA-N |