8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0103 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.35 |
| logD: | 2.0756 |
| logSw: | -2.884 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.117 |
| InChI Key: | UASIUOZNJCRIOQ-UHFFFAOYSA-N |