9-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-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-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
9-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-1064 |
| Compound Name: | 9-[(2-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-5-methyl-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: | CCOc1ccc(cc1)c1nnc2N(Cc3ccccc3[Cl])C3=C(N(C)C(NC3=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.0579 |
| logD: | 4.0562 |
| logSw: | -4.3867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.531 |
| InChI Key: | DVGWGAHURIBRML-UHFFFAOYSA-N |