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
3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
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: | 8010-0818 |
| Compound Name: | 3-(4-bromophenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione |
| Molecular Weight: | 389.21 |
| Molecular Formula: | C15 H13 Br N6 O2 |
| Smiles: | CN1C(c2c(nc3NN=C(Cn23)c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1551 |
| logD: | 3.155 |
| logSw: | -3.1918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.618 |
| InChI Key: | GGBSAQPHKWSEBG-UHFFFAOYSA-N |