1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0323 |
| Compound Name: | 1,3-dimethyl-7-[(4-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: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(C)CC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9792 |
| logD: | 1.0081 |
| logSw: | -2.2982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.89 |
| InChI Key: | VGWVGMKDVHJSAV-UHFFFAOYSA-N |