5-bromo-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-bromo-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide
5-bromo-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide
Compound characteristics
Compound ID: | C301-9493 |
Compound Name: | 5-bromo-N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide |
Molecular Weight: | 405.25 |
Molecular Formula: | C16 H17 Br N6 O2 |
Smiles: | CCn1c(C)c(c(n1)n1cnnc1)NC(c1cc(ccc1OC)[Br])=O |
Stereo: | ACHIRAL |
logP: | 1.4952 |
logD: | -2.184 |
logSw: | -2.4796 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.23 |
InChI Key: | OMLJXIZRXYXQEE-UHFFFAOYSA-N |