8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0573 |
Compound Name: | 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 461.56 |
Molecular Formula: | C26 H31 N5 O3 |
Smiles: | CCOCCn1c2C(N(C)C(N(C)c2nc1CN(Cc1ccccc1)Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.771 |
logD: | 3.7705 |
logSw: | -3.841 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.348 |
InChI Key: | JQZRFLBCVGXGAL-UHFFFAOYSA-N |