2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(phenylsulfanyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(phenylsulfanyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(phenylsulfanyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C482-0418 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[5-(phenylsulfanyl)-2-furyl]acrylamide |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C18 H13 N3 O3 S |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(o2)Sc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 3.15 |
| logSw: | -5.33 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.08 |
| InChI Key: | MMOHBYXTILBJFH-UHFFFAOYSA-N |