1-benzyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Chemical Structure Depiction of
1-benzyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-benzyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8011-7102 |
| Compound Name: | 1-benzyl-7,9-dimethyl-3-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C22 H20 N6 O2 |
| Smiles: | CN1C(c2c(nc3N(Cc4ccccc4)N=C(Cn23)c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8678 |
| logD: | 3.8678 |
| logSw: | -3.9761 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.612 |
| InChI Key: | BXMLQGXZDOHFON-UHFFFAOYSA-N |