3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6147-1247 |
| Compound Name: | 3-[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C27 H19 N3 O3 S |
| Smiles: | [H]C(=C(/C#N)S(c1ccc(C)cc1)(=O)=O)\c1cn(c2ccccc2)nc1c1cc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 6.0812 |
| logD: | 6.0812 |
| logSw: | -6.4718 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.721 |
| InChI Key: | BOVBMFPRMGXYQM-UHFFFAOYSA-N |