7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0066 |
| Compound Name: | 7-butyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H29 F N6 O2 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.263 |
| logD: | 3.2617 |
| logSw: | -3.4296 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.622 |
| InChI Key: | HSDMLCMKHRREGR-UHFFFAOYSA-N |