7-[(3-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0403 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 399.84 |
| Molecular Formula: | C19 H18 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NCc3ccco3)n2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9708 |
| logD: | 3.9706 |
| logSw: | -4.2225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.595 |
| InChI Key: | TYQPYXBNXKRDQI-UHFFFAOYSA-N |