2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0127 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C25 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(NCc2cccs2)=O)\Nc2cccc(c2)OC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1797 |
| logD: | 6.144 |
| logSw: | -5.3681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.962 |
| InChI Key: | XWAXCSUDIKBHJY-UHFFFAOYSA-N |