N-(4-bromophenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
N-(4-bromophenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Compound characteristics
Compound ID: | D527-0330 |
Compound Name: | N-(4-bromophenyl)-3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide |
Molecular Weight: | 492.37 |
Molecular Formula: | C24 H22 Br N5 O2 |
Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(Nc2ccc(cc2)[Br])=O)C(n2c1nc(c1ccccc1)n2)=O |
Stereo: | ACHIRAL |
logP: | 4.7919 |
logD: | 4.7911 |
logSw: | -4.5278 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.61 |
InChI Key: | FQBYDFIREHYIFA-UHFFFAOYSA-N |