1-[(3-chlorophenyl)methyl]-8-{[(2-chlorophenyl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-8-{[(2-chlorophenyl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(3-chlorophenyl)methyl]-8-{[(2-chlorophenyl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0238 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-8-{[(2-chlorophenyl)methyl]amino}-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.32 |
| Molecular Formula: | C21 H19 Cl2 N5 O2 |
| Smiles: | CN1C(N(Cc2cccc(c2)[Cl])C(c2c1nc(NCc1ccccc1[Cl])n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.546 |
| logD: | 4.5431 |
| logSw: | -4.4454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.891 |
| InChI Key: | AGYGFILXFRHPNE-UHFFFAOYSA-N |