7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-3511 |
| Compound Name: | 7-benzyl-1,3-dimethyl-8-[4-(3-phenylpropanoyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C27 H30 N6 O3 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)C(CCc3ccccc3)=O)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9185 |
| logD: | 3.9183 |
| logSw: | -3.9631 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.626 |
| InChI Key: | BULFBXGRPNQEHH-UHFFFAOYSA-N |