8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0639 |
| Compound Name: | 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H29 F N6 O2 |
| Smiles: | CC(C)Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2523 |
| logD: | 3.2431 |
| logSw: | -3.352 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.945 |
| InChI Key: | PBCMMFKLYBDQPX-UHFFFAOYSA-N |