7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-7054 |
| Compound Name: | 7-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H23 Cl N6 O3 |
| Smiles: | CN1C(c2c(ncn2CCC(N2CCN(CC2)c2cccc(c2)[Cl])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3804 |
| logD: | 1.3804 |
| logSw: | -2.4233 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.592 |
| InChI Key: | PJFCVLGTWFOSSA-UHFFFAOYSA-N |