N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | 5275-0067 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C21 H19 N3 O6 |
| Smiles: | CC(C)C(NC(c1ccc2c(c1)OCO2)c1cc(c2cccnc2c1O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6698 |
| logD: | 3.2661 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.212 |
| InChI Key: | MTYJHTAENJWPFH-SFHVURJKSA-N |