1-benzyl-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
1-benzyl-3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-benzyl-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: | 8018-8530 |
| Compound Name: | 1-benzyl-3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C29 H34 N6 O2 |
| Smiles: | CCCCCCCc1ccc(cc1)C1Cn2c3C(N(C)C(N(C)c3nc2N(Cc2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4884 |
| logD: | 7.4883 |
| logSw: | -5.7131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.612 |
| InChI Key: | WZKQGMNRPOVNOY-UHFFFAOYSA-N |