N-(4-bromophenyl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(4-bromophenyl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D527-0130 |
| Compound Name: | N-(4-bromophenyl)-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C23 H22 Br N5 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(Nc2ccc(cc2)[Br])=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6059 |
| logD: | 4.6051 |
| logSw: | -4.2811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.357 |
| InChI Key: | GYGMAXIUCUVIIK-UHFFFAOYSA-N |