1-benzyl-3-(4-bromophenyl)-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-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Compound characteristics
| Compound ID: | 8012-2905 |
| Compound Name: | 1-benzyl-3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C22 H19 Br N6 O2 |
| Smiles: | CN1C(c2c(nc3N(Cc4ccccc4)N=C(Cn23)c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8068 |
| logD: | 4.8067 |
| logSw: | -4.6865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.612 |
| InChI Key: | SXBRBAUJTXIVLK-UHFFFAOYSA-N |