7-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 7706-0395 |
Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 416.91 |
Molecular Formula: | C20 H25 Cl N6 O2 |
Smiles: | CCN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.2967 |
logD: | 1.5409 |
logSw: | -3.5419 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.234 |
InChI Key: | QYDQXITXFSWMOK-UHFFFAOYSA-N |