7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-0605 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 355.18 |
| Molecular Formula: | C14 H12 Cl2 N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])[Cl])O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9949 |
| logD: | 0.7401 |
| logSw: | -3.0673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.817 |
| InChI Key: | SJBMGAWFKNPLNJ-UHFFFAOYSA-N |