8-chloro-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-chloro-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-chloro-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3601-0053 |
| Compound Name: | 8-chloro-7-[(3-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 322.72 |
| Molecular Formula: | C14 H12 Cl F N4 O2 |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)F)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8169 |
| logD: | 2.8169 |
| logSw: | -3.4069 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.924 |
| InChI Key: | SBZKSRKLLIWKNF-UHFFFAOYSA-N |