7-[(2-fluorophenyl)methyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0090 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C18 H20 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCC1)n2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4018 |
| logD: | 3.4018 |
| logSw: | -3.544 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.611 |
| InChI Key: | ORJIYZHAIRBEIA-UHFFFAOYSA-N |