7-[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0538 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(4-methoxyphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.86 |
| Molecular Formula: | C21 H19 Cl N4 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])Oc2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6118 |
| logD: | 4.6118 |
| logSw: | -4.9088 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.296 |
| InChI Key: | BEMPVQPWBBSOKV-UHFFFAOYSA-N |