N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide
Compound characteristics
Compound ID: | K291-0083 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(4-ethoxyanilino)prop-2-enamide |
Molecular Weight: | 515.63 |
Molecular Formula: | C29 H29 N3 O4 S |
Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(NCc1ccc2c(c1)OCO2)=O)SCc1ccc(C)cc1C |
Stereo: | ACHIRAL |
logP: | 6.4203 |
logD: | 6.4121 |
logSw: | -5.5032 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.639 |
InChI Key: | OGMZPSOYTZGPDB-UHFFFAOYSA-N |