7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0084 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C17 H18 F N5 O3 |
| Smiles: | CN1C(NC(c2c1nc(N1CCOCC1)n2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2431 |
| logD: | 2.2431 |
| logSw: | -2.8262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.52 |
| InChI Key: | NPQKCTFYXSOXCY-UHFFFAOYSA-N |