7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0055 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-{[(4-methoxyphenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NCc3ccc(cc3)OC)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1686 |
| logD: | 4.1683 |
| logSw: | -4.3227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.39 |
| InChI Key: | UXVGABIHDPOJIY-UHFFFAOYSA-N |