9-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
9-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0775 |
| Compound Name: | 9-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-5,7-dimethyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 450.88 |
| Molecular Formula: | C22 H19 Cl N6 O3 |
| Smiles: | CN1C2=C(C(N(C)C1=O)=O)N(Cc1ccccc1[Cl])c1nnc(c3ccc(cc3)OC)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.0072 |
| logD: | 4.0072 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.038 |
| InChI Key: | MPQBYGLPPLXXRR-UHFFFAOYSA-N |