1-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0418 |
| Compound Name: | 1-[(2,4-dichlorophenyl)methyl]-8-(2-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.3 |
| Molecular Formula: | C21 H18 Cl2 N4 O4 |
| Smiles: | CN1C(N(Cc2ccc(cc2[Cl])[Cl])C(c2c1nc(n2C)Oc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6814 |
| logD: | 4.6811 |
| logSw: | -4.9175 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.514 |
| InChI Key: | QWCXKJKOCJOLLR-UHFFFAOYSA-N |