1-acetyl-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-acetyl-3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
1-acetyl-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: | 8012-3873 |
| Compound Name: | 1-acetyl-3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 431.25 |
| Molecular Formula: | C17 H15 Br N6 O3 |
| Smiles: | CC(N1c2nc3c(C(N(C)C(N3C)=O)=O)n2CC(c2ccc(cc2)[Br])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6736 |
| logD: | 2.6736 |
| logSw: | -2.7532 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.128 |
| InChI Key: | JMQKSRVWUQDRTG-UHFFFAOYSA-N |