5-methyl-9-(3-methylbutyl)-3-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-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
5-methyl-9-(3-methylbutyl)-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
Compound characteristics
| Compound ID: | F722-0115 |
| Compound Name: | 5-methyl-9-(3-methylbutyl)-3-phenyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C18 H20 N6 O2 |
| Smiles: | CC(C)CCN1C2=C(N(C)C(NC2=O)=O)n2c(c3ccccc3)nnc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0766 |
| logD: | 3.0724 |
| logSw: | -3.3817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.658 |
| InChI Key: | HBVMFMQCLIWMRL-UHFFFAOYSA-N |