3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8018-8529 |
| Compound Name: | 3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CCCCCCCc1ccc(cc1)C1Cn2c3C(N(C)C(N(C)c3nc2NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8367 |
| logD: | 5.8366 |
| logSw: | -5.3133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.618 |
| InChI Key: | BNGKCVSXYRSGDJ-UHFFFAOYSA-N |