7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0008 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(2-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.3 |
| Molecular Formula: | C21 H18 Cl2 N4 O3 |
| Smiles: | Cc1ccccc1Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4712 |
| logD: | 5.4712 |
| logSw: | -5.8715 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | GKBVNCKGZNJBCO-UHFFFAOYSA-N |