2-cyano-N~1~-(5-methyl-3-isoxazolyl)-5-phenyl-2,4-pentadienamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-5-phenyl-2,4-pentadienamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-5-phenyl-2,4-pentadienamide
Compound characteristics
| Compound ID: | C482-0424 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-5-phenyl-2,4-pentadienamide |
| Molecular Weight: | 279.3 |
| Molecular Formula: | C16 H13 N3 O2 |
| Smiles: | Cc1cc(NC(C(=C/C=C/c2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | 1.14 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.14 |
| InChI Key: | VWZHANYTLZVEFW-UHFFFAOYSA-N |