8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0105 |
| Compound Name: | 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2N2CCN(CC2)CCO)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3224 |
| logD: | 1.4456 |
| logSw: | -2.4086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.144 |
| InChI Key: | FQMTUKCBDXRCSO-UHFFFAOYSA-N |