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 |