2-(4-methylbenzene-1-sulfonyl)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
2-(4-methylbenzene-1-sulfonyl)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-1529 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C28 H23 N3 O3 S |
| Smiles: | CC1Cc2cc(ccc2O1)c1c(\C=C(/C#N)S(c2ccc(C)cc2)(=O)=O)cn(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7426 |
| logD: | 5.7426 |
| logSw: | -5.5474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.83 |
| InChI Key: | DPOWYYLKEVAQAM-HXUWFJFHSA-N |