8-bromo-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-bromo-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-0965 |
| Compound Name: | 8-bromo-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 367.17 |
| Molecular Formula: | C14 H12 Br F N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(n2C)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3402 |
| logD: | 2.3402 |
| logSw: | -2.5123 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.348 |
| InChI Key: | AHCPQKBIDHCVSJ-UHFFFAOYSA-N |