1,3-dimethyl-7-(2-methylpropyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-methylpropyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-methylpropyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0633 |
| Compound Name: | 1,3-dimethyl-7-(2-methylpropyl)-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | CC(C)Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1017 |
| logD: | 3.0925 |
| logSw: | -3.119 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.945 |
| InChI Key: | AWVDMQQQEXTUEZ-UHFFFAOYSA-N |