1-[5-(4-bromophenyl)-7-(2-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Chemical Structure Depiction of
1-[5-(4-bromophenyl)-7-(2-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
1-[5-(4-bromophenyl)-7-(2-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | D413-0307 |
| Compound Name: | 1-[5-(4-bromophenyl)-7-(2-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione |
| Molecular Weight: | 484.74 |
| Molecular Formula: | C21 H15 Br Cl N5 O2 |
| Smiles: | C1CC(N(C1=O)c1nc2NC(=CC(c3ccccc3[Cl])n2n1)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9 |
| logD: | 3.8984 |
| logSw: | -4.3272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.054 |
| InChI Key: | QGZMSYNLKMFKKI-QGZVFWFLSA-N |