7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4100-3815 |
| Compound Name: | 7-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7028 |
| logD: | 1.7027 |
| logSw: | -1.949 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.312 |
| InChI Key: | CRFLQCCJODMIHS-UHFFFAOYSA-N |