7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0018 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.35 |
| Molecular Formula: | C22 H21 Cl2 N5 O2 |
| Smiles: | CN1C(c2c(nc(NCCc3ccccc3)n2Cc2ccc(c(c2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0525 |
| logD: | 5.0524 |
| logSw: | -5.2199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.688 |
| InChI Key: | FNXWVRORBJHXNZ-UHFFFAOYSA-N |