7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7068 |
| Compound Name: | 7-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(N2CCN(CC2)Cc2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4779 |
| logD: | 0.4449 |
| logSw: | -1.4554 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.872 |
| InChI Key: | NCNXFVMNBVYHTJ-UHFFFAOYSA-N |