N,N'-[(6-oxo-1H-purine-1,9(6H)-diyl)bis(2,2,2-trichloroethane-1,1-diyl)]dibenzamide
Chemical Structure Depiction of
N,N'-[(6-oxo-1H-purine-1,9(6H)-diyl)bis(2,2,2-trichloroethane-1,1-diyl)]dibenzamide
N,N'-[(6-oxo-1H-purine-1,9(6H)-diyl)bis(2,2,2-trichloroethane-1,1-diyl)]dibenzamide
Compound characteristics
| Compound ID: | 1492-0420 |
| Compound Name: | N,N'-[(6-oxo-1H-purine-1,9(6H)-diyl)bis(2,2,2-trichloroethane-1,1-diyl)]dibenzamide |
| Molecular Weight: | 637.14 |
| Molecular Formula: | C23 H16 Cl6 N6 O3 |
| Smiles: | C1=Nc2c(C(N1C(C([Cl])([Cl])[Cl])NC(c1ccccc1)=O)=O)ncn2C(C([Cl])([Cl])[Cl])NC(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2399 |
| logD: | 2.4086 |
| logSw: | -4.5703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.407 |
| InChI Key: | APALXTGFRBYNJB-UHFFFAOYSA-N |