7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0084 |
| Compound Name: | 7-benzyl-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | CCN1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9005 |
| logD: | 0.7897 |
| logSw: | -2.1088 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.95 |
| InChI Key: | NPFMGXZNYPENJB-UHFFFAOYSA-N |