7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0217 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 532.02 |
| Molecular Formula: | C29 H27 Cl F N5 O2 |
| Smiles: | CN1C(c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5517 |
| logD: | 5.5515 |
| logSw: | -5.859 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.121 |
| InChI Key: | NRVQCYLISFMFAP-UHFFFAOYSA-N |