8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0584 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CC(Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6162 |
| logD: | 0.3439 |
| logSw: | -1.904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.474 |
| InChI Key: | ZNNYZOXEMQWQPT-UHFFFAOYSA-N |