N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0027 |
| Compound Name: | N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(3-methoxyanilino)prop-2-enamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(NCc2ccccc2)=O)\Nc2cccc(c2)OC)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2047 |
| logD: | 6.169 |
| logSw: | -5.4221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.943 |
| InChI Key: | NCBLJYIBNYUAQR-UHFFFAOYSA-N |