7-[(2-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 5339-0355 |
Compound Name: | 7-[(2-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 348.79 |
Molecular Formula: | C16 H17 Cl N4 O3 |
Smiles: | CCOc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 3.5294 |
logD: | 3.5294 |
logSw: | -3.5613 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.128 |
InChI Key: | KNQAELGPSCSMKK-UHFFFAOYSA-N |