1-[(2-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0349 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C17 H20 F N5 O3 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(NCCCO)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2579 |
| logD: | 1.2572 |
| logSw: | -1.8954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.659 |
| InChI Key: | YLGNAWBLSMCENO-UHFFFAOYSA-N |