8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0141 |
| Compound Name: | 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C32 H33 F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccccc3)c3ccccc3)n2Cc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0272 |
| logD: | 4.9904 |
| logSw: | -4.5263 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.974 |
| InChI Key: | YPAIOEMTLYSBHP-UHFFFAOYSA-N |