8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0407 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | CCN1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6345 |
| logD: | 0.5237 |
| logSw: | -2.1562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.842 |
| InChI Key: | RRRDMNFWUYMGSI-UHFFFAOYSA-N |