7-[(2,4-dichlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-dichlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4094-0083 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.3 |
| Molecular Formula: | C21 H18 Cl2 N4 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])[Cl])Oc2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3882 |
| logD: | 5.3882 |
| logSw: | -5.9161 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.296 |
| InChI Key: | IEXGMZBSIUVDSG-UHFFFAOYSA-N |