N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-(4-ethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-(4-ethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-(4-ethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0084 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-cyano-3-(4-ethylanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C28 H27 N3 O3 S |
| Smiles: | CCc1ccc(cc1)N/C(=C(/C#N)C(NCc1ccc2c(c1)OCO2)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.6934 |
| logD: | 6.6883 |
| logSw: | -5.5681 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.515 |
| InChI Key: | ICSUUFDPIPFBQY-UHFFFAOYSA-N |