7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0340 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(4-methylphenyl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | Cc1ccc(CNc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccc(cc2)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5828 |
| logD: | 4.5824 |
| logSw: | -4.7092 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | BZKJBPGGCRZFPS-UHFFFAOYSA-N |