7-[(2-chloro-5-methoxyphenyl)methyl]-8-{[3-(dimethylamino)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-{[3-(dimethylamino)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-{[3-(dimethylamino)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0043 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-{[3-(dimethylamino)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C20 H27 Cl N6 O3 |
| Smiles: | CN(C)CCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cc(ccc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.8231 |
| logD: | 0.7385 |
| logSw: | -3.5329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.369 |
| InChI Key: | IDDWWADKKFJVFN-UHFFFAOYSA-N |