1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0179 |
| Compound Name: | 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3121 |
| logD: | 1.3411 |
| logSw: | -2.3687 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.89 |
| InChI Key: | AODOTDAEASFOST-UHFFFAOYSA-N |