N-[2-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]-2-methylpropanamide
Chemical Structure Depiction of
N-[2-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]-2-methylpropanamide
N-[2-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | J059-0223 |
| Compound Name: | N-[2-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]-2-methylpropanamide |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | CC(C)C(Nc1ccccc1C1C(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6864 |
| logD: | 3.6863 |
| logSw: | -3.9768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.108 |
| InChI Key: | NBBRRHUGXMKVPM-UHFFFAOYSA-N |