7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 3736-0134 |
Compound Name: | 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 304.73 |
Molecular Formula: | C14 H13 Cl N4 O2 |
Smiles: | CN1C(c2c(ncn2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0313 |
logD: | 2.0313 |
logSw: | -2.626 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.96 |
InChI Key: | HCNFLMYHWULFFT-UHFFFAOYSA-N |