9-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0742 |
| Compound Name: | 9-[(2-fluorophenyl)methyl]-5,7-dimethyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 418.43 |
| Molecular Formula: | C22 H19 F N6 O2 |
| Smiles: | Cc1ccc(cc1)c1nnc2N(Cc3ccccc3F)C3=C(N(C)C(N(C)C3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.1047 |
| logD: | 4.1047 |
| logSw: | -4.211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.494 |
| InChI Key: | UBPFHFSIBSVSPW-UHFFFAOYSA-N |