N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9073 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C26 H22 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)Sc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1509 |
| logD: | 6.1508 |
| logSw: | -5.7381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.311 |
| InChI Key: | YUUADRWSAHGJQX-UHFFFAOYSA-N |