5-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide
5-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
Compound ID: | D492-0002 |
Compound Name: | 5-bromo-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide |
Molecular Weight: | 440.29 |
Molecular Formula: | C21 H18 Br N3 O3 |
Smiles: | [H]N(C(c1c(C)c2cc(ccc2o1)[Br])=O)c1ccnn1Cc1ccc(cc1)OC |
Stereo: | ACHIRAL |
logP: | 4.8317 |
logD: | 4.8312 |
logSw: | -4.6891 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.832 |
InChI Key: | VDDAUSNSLTYILE-UHFFFAOYSA-N |