2-cyano-3-[4-(propan-2-yl)phenyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-[4-(propan-2-yl)phenyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
2-cyano-3-[4-(propan-2-yl)phenyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | 4112-2063 |
| Compound Name: | 2-cyano-3-[4-(propan-2-yl)phenyl]-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | CC(C)c1ccc(\C=C(/C#N)C(Nc2ccc(cc2)S(Nc2ncccn2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5906 |
| logD: | 2.8354 |
| logSw: | -3.8975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.605 |
| InChI Key: | WLYLWYAKDOHZSX-UHFFFAOYSA-N |