7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0237 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 587.1 |
| Molecular Formula: | C32 H32 Cl F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccccc3)c3ccccc3)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6112 |
| logD: | 5.5744 |
| logSw: | -5.9861 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.974 |
| InChI Key: | HGILZKASXXQVRY-UHFFFAOYSA-N |