8-(benzylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5461 |
| Compound Name: | 8-(benzylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccccc3)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1863 |
| logD: | 4.1859 |
| logSw: | -4.2986 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | UEEGKRMSIXOTDD-UHFFFAOYSA-N |