2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0077 |
| Compound Name: | 2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)SCCOc1ccc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 3.61 |
| logSw: | -6.03 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.17 |
| InChI Key: | YJFMXCAJGVVFTE-UHFFFAOYSA-N |