3-{4-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-{4-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
3-{4-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | IB06-8018 |
| Compound Name: | 3-{4-[(1E)-2-cyano-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1-phenyl-1H-pyrazol-3-yl}-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CN(C)S(c1cccc(c1)c1c(\C=C(/C#N)C(N2CCCCC2)=O)cn(c2ccccc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.66 |
| logD: | 3.66 |
| logSw: | -4.42 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 157.48 |
| InChI Key: | CPPMHEFLEGYCOV-UHFFFAOYSA-N |