7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2827 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(3-methylpiperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C20 H24 Cl N5 O2 |
| Smiles: | CC1CCCN(C1)c1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3325 |
| logD: | 4.3325 |
| logSw: | -4.5026 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.631 |
| InChI Key: | BMFKTDFLPSHVGW-ZDUSSCGKSA-N |