1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7050 |
| Compound Name: | 1,3-dimethyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(N2CCN(CC2)c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7968 |
| logD: | 0.7968 |
| logSw: | -1.349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.592 |
| InChI Key: | FJRGQSBUYKEMCG-UHFFFAOYSA-N |