8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-1066 |
| Compound Name: | 8-(ethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C16 H18 F N5 O2 |
| Smiles: | CCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.6371 |
| logD: | 2.6362 |
| logSw: | -2.8175 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.744 |
| InChI Key: | DWQIAEMIAZQBHF-UHFFFAOYSA-N |