9-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0317 |
| Compound Name: | 9-[(4-chlorophenyl)methyl]-5-methyl-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 406.83 |
| Molecular Formula: | C20 H15 Cl N6 O2 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(Cc1ccc(cc1)[Cl])c1nnc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6947 |
| logD: | 3.693 |
| logSw: | -4.3482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.408 |
| InChI Key: | VIHBRZSTHAQJBZ-UHFFFAOYSA-N |