7-[(3,4-dichlorophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0518 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-8-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 518.4 |
| Molecular Formula: | C24 H25 Cl2 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCCc3ccc(c(c3)OC)OC)n2Cc2ccc(c(c2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5695 |
| logD: | 4.5694 |
| logSw: | -4.5902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.949 |
| InChI Key: | YHKPPFIJCSQTQK-UHFFFAOYSA-N |