8-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2866 |
| Compound Name: | 8-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.84 |
| Molecular Formula: | C18 H19 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc([nH]2)N2CCN(CC2)C(c2ccc(cc2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.88 |
| logD: | 1.8794 |
| logSw: | -2.9941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.911 |
| InChI Key: | FBSYRGBEDNFSLO-UHFFFAOYSA-N |