5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(propan-2-yl)-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-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0048 |
| Compound Name: | 5-methyl-3-[4-(phenoxymethyl)phenyl]-9-(propan-2-yl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | CC(C)N1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(COc4ccccc4)cc3)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6513 |
| logD: | 3.6473 |
| logSw: | -3.9238 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.628 |
| InChI Key: | JFKXXNGFGGEYDX-UHFFFAOYSA-N |