7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-1985 |
| Compound Name: | 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C22 H28 N6 O5 |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7038 |
| logD: | 0.0986 |
| logSw: | -2.3073 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.682 |
| InChI Key: | NJRBRWNFVVMLKU-UHFFFAOYSA-N |