5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Chemical Structure Depiction of
5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0116 |
| Compound Name: | 5-methyl-9-(3-methylbutyl)-3-[4-(phenoxymethyl)phenyl]-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | CC(C)CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccc(COc4ccccc4)cc3)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.5674 |
| logD: | 4.5632 |
| logSw: | -4.3416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.885 |
| InChI Key: | YXUGQVNLWVDDLI-UHFFFAOYSA-N |