7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0266 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(piperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C20 H24 Cl N5 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCCCC3)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.371 |
| logD: | 3.3426 |
| logSw: | -3.4685 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.413 |
| InChI Key: | MTCIOCIZAQWCKT-UHFFFAOYSA-N |