1-benzyl-7-[(2-chlorophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(2-chlorophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(2-chlorophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-4698 |
| Compound Name: | 1-benzyl-7-[(2-chlorophenyl)methyl]-3-phenyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C25 H19 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)N1C(c2c(ncn2Cc2ccccc2[Cl])N(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4796 |
| logD: | 4.4796 |
| logSw: | -4.4413 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.275 |
| InChI Key: | ZHZIJQKLDUZIDS-UHFFFAOYSA-N |