8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0757 |
| Compound Name: | 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-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)n1CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.05 |
| logD: | 0.9392 |
| logSw: | -2.2284 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.928 |
| InChI Key: | SQWYQYZISIFVEJ-UHFFFAOYSA-N |