5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0392 |
| Compound Name: | 5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(2-phenylethyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 492.54 |
| Molecular Formula: | C28 H24 N6 O3 |
| Smiles: | CN1C2=C(C(NC1=O)=O)N(CCc1ccccc1)c1nnc(c3ccc(COc4ccccc4)cc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6899 |
| logD: | 4.6859 |
| logSw: | -4.4766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.614 |
| InChI Key: | INFJZEQHKREYKE-UHFFFAOYSA-N |