2-cyano-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0428 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[2-(phenylsulfanyl)ethoxy]phenyl}-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.52 |
| logD: | 3 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.87 |
| InChI Key: | SNACIGGXVVFJIA-UHFFFAOYSA-N |