7-[(4-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0033 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C16 H18 F N5 O3 |
| Smiles: | CN1C(NC(c2c1nc(NCCCO)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1873 |
| logD: | 1.1872 |
| logSw: | -2.0695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.529 |
| InChI Key: | XVDSENHYLWRYIH-UHFFFAOYSA-N |