7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0219 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.91 |
| Molecular Formula: | C21 H25 Cl F N5 O2 |
| Smiles: | CC1CCCCN1Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5865 |
| logD: | 3.5369 |
| logSw: | -3.8176 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.864 |
| InChI Key: | CYJYOLWIHVNJIC-ZDUSSCGKSA-N |