2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y204-5256 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)quinoline-4-carboxamide |
| Molecular Weight: | 427.42 |
| Molecular Formula: | C24 H17 N3 O5 |
| Smiles: | Cc1ccc(cc1NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3483 |
| logD: | 5.3473 |
| logSw: | -5.5603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.188 |
| InChI Key: | BJJHHXXQOUGHRO-UHFFFAOYSA-N |