8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0324 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | CCN1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3239 |
| logD: | 1.2131 |
| logSw: | -2.4978 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.95 |
| InChI Key: | JIGUJNONBJHTSN-UHFFFAOYSA-N |