5-(4-bromophenyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(4-bromophenyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(4-bromophenyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1905 |
| Compound Name: | 5-(4-bromophenyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 398.22 |
| Molecular Formula: | C17 H12 Br N5 O2 |
| Smiles: | C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1c1ccc(cc1)[Br])ncn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3731 |
| logD: | 4.364 |
| logSw: | -4.563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.981 |
| InChI Key: | COTGSFMTOPCRFQ-MRXNPFEDSA-N |