7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0269 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C21 H26 Cl N5 O2 |
| Smiles: | CC1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7616 |
| logD: | 3.7406 |
| logSw: | -3.9117 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.413 |
| InChI Key: | BBSZBNLWGUMGAN-UHFFFAOYSA-N |