8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0088 |
| Compound Name: | 8-(azepan-1-yl)-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C19 H22 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCCC1)n2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8977 |
| logD: | 3.8977 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.942 |
| InChI Key: | ANDHEHHUULBRBM-UHFFFAOYSA-N |