8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D114-0039 |
Compound Name: | 8-[(2-hydroxyethyl)amino]-3,7-dimethyl-1-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 343.38 |
Molecular Formula: | C17 H21 N5 O3 |
Smiles: | Cc1ccc(CN2C(c3c(nc(NCCO)n3C)N(C)C2=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 1.5565 |
logD: | 1.5552 |
logSw: | -2.0104 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.659 |
InChI Key: | UQQCHRQMUDVPOY-UHFFFAOYSA-N |