7-benzyl-1,3-dimethyl-8-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-3495 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | Cc1ccc(CN2CCN(CC2)c2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2789 |
| logD: | 3.1015 |
| logSw: | -4.1133 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.238 |
| InChI Key: | KABQZXQTBIXRPD-UHFFFAOYSA-N |