8-[(butan-2-yl)amino]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(butan-2-yl)amino]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(butan-2-yl)amino]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0028 |
| Compound Name: | 8-[(butan-2-yl)amino]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C17 H20 F N5 O2 |
| Smiles: | CCC(C)Nc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9586 |
| logD: | 2.9585 |
| logSw: | -3.4038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.473 |
| InChI Key: | BEFKOTBCCFMNAT-JTQLQIEISA-N |