N-[1-(4-cyanophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[1-(4-cyanophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
N-[1-(4-cyanophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | V028-6806 |
| Compound Name: | N-[1-(4-cyanophenyl)-5-methyl-1H-pyrazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C21 H16 N4 O2 |
| Smiles: | Cc1c2ccccc2oc1C(Nc1cc(C)n(c2ccc(C#N)cc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4964 |
| logD: | 4.4892 |
| logSw: | -4.2976 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.544 |
| InChI Key: | IXBMWCABBRUXHT-UHFFFAOYSA-N |