7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0277 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0528 |
| logD: | 5.0528 |
| logSw: | -5.0962 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | HXCKGOBXQQBCLV-UHFFFAOYSA-N |