1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0278 |
| Compound Name: | 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.31 |
| Molecular Formula: | C19 H21 Cl2 N5 O2 |
| Smiles: | CN1C(N(Cc2ccc(c(c2)[Cl])[Cl])C(c2c1nc(N1CCCCC1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4001 |
| logD: | 4.3982 |
| logSw: | -4.4349 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.742 |
| InChI Key: | ZRNHQZVUFGYKQN-UHFFFAOYSA-N |