8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 7741-2686 |
Compound Name: | 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 435.53 |
Molecular Formula: | C20 H33 N7 O4 |
Smiles: | CN1C(c2c(nc(CN3CCN(CC3)CCO)n2CCN2CCOCC2)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | -0.8653 |
logD: | -1.2434 |
logSw: | 0.3559 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.729 |
InChI Key: | SZSAADOEVKEGQT-UHFFFAOYSA-N |