N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C167-0237 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide |
| Molecular Weight: | 467.34 |
| Molecular Formula: | C22 H15 Br N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(c2ccc(s2)[Br])nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9498 |
| logD: | 5.9498 |
| logSw: | -6.1787 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.845 |
| InChI Key: | WQSVNWCINJUVMC-UHFFFAOYSA-N |