7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0015 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.34 |
| Molecular Formula: | C20 H23 Cl2 N5 O2 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1867 |
| logD: | 5.1865 |
| logSw: | -5.6658 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.697 |
| InChI Key: | TYJLZXGVBAEBSY-UHFFFAOYSA-N |