7-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y032-0317 |
| Compound Name: | 7-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 416.87 |
| Molecular Formula: | C19 H21 Cl N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)c2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1628 |
| logD: | 1.1628 |
| logSw: | -2.4297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.613 |
| InChI Key: | GJFFNQLXMNOKFK-UHFFFAOYSA-N |