8-{[(2-chlorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2-chlorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2-chlorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7026-0122 |
| Compound Name: | 8-{[(2-chlorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 319.75 |
| Molecular Formula: | C14 H14 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccccc3[Cl])[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2265 |
| logD: | 2.2246 |
| logSw: | -3.004 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.444 |
| InChI Key: | FCYVTTBVLUGVFN-UHFFFAOYSA-N |