2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C482-0415 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C15 H13 N3 O2 S |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.81 |
| logD: | 2.29 |
| logSw: | -4.59 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.74 |
| InChI Key: | VOPDREWSTOIJAJ-UHFFFAOYSA-N |