3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-1,2,4-triazin-6(1H)-one
Chemical Structure Depiction of
3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-1,2,4-triazin-6(1H)-one
3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-1,2,4-triazin-6(1H)-one
Compound characteristics
| Compound ID: | G879-1503 |
| Compound Name: | 3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-1,2,4-triazin-6(1H)-one |
| Molecular Weight: | 421.09 |
| Molecular Formula: | C16 H11 Br2 N3 O |
| Smiles: | C(C1C(NN=C(c2ccc(cc2)[Br])N=1)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5068 |
| logD: | 4.5068 |
| logSw: | -4.5518 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.308 |
| InChI Key: | KHCOGTZYDBXEAH-UHFFFAOYSA-N |