1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5716 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C20 H24 Cl N5 O2 |
| Smiles: | CC1CCN(CC1)c1nc2c(C(N(Cc3ccccc3[Cl])C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.8973 |
| logD: | 3.8956 |
| logSw: | -4.0662 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.742 |
| InChI Key: | JVTGHUUWDAIKKH-UHFFFAOYSA-N |