7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-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-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0227 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C20 H24 Cl F N6 O2 |
| Smiles: | CN1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.1689 |
| logD: | 1.1978 |
| logSw: | -2.8434 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.89 |
| InChI Key: | XFOLPKGQEIDYGS-UHFFFAOYSA-N |