8-(3-chlorophenoxy)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(3-chlorophenoxy)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(3-chlorophenoxy)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0152 |
| Compound Name: | 8-(3-chlorophenoxy)-1-[(2-chlorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C20 H16 Cl2 N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)Oc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7724 |
| logD: | 4.7724 |
| logSw: | -4.8558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | IIRPLCNJWPDQDZ-UHFFFAOYSA-N |