7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-6043 |
| Compound Name: | 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8269 |
| logD: | 0.2216 |
| logSw: | -2.2038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.965 |
| InChI Key: | BCHIYVHPMGMLET-UHFFFAOYSA-N |