7-benzyl-8-(4-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-(4-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-(4-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0114 |
| Compound Name: | 7-benzyl-8-(4-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C20 H17 Cl N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)Oc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6295 |
| logD: | 4.6295 |
| logSw: | -4.9229 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | PFVHZXODNDXMJA-UHFFFAOYSA-N |