N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethoxyanilino)prop-2-enamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 522.02 |
| Molecular Formula: | C27 H24 Cl N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N/C(=C(/C#N)C(NCc1ccc2c(c1)OCO2)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6488 |
| logD: | 5.6405 |
| logSw: | -5.8918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.639 |
| InChI Key: | SIZDKZCBZAMBRX-UHFFFAOYSA-N |