8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0377 |
| Compound Name: | 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C29 H29 F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3F)n2Cc2cccc3ccccc23)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7716 |
| logD: | 4.7714 |
| logSw: | -5.3094 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.101 |
| InChI Key: | ICUPWCKQZMATMS-UHFFFAOYSA-N |