N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]acetamide
N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | D502-0013 |
| Compound Name: | N-(4-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]acetamide |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | CC(N(Cc1ccccc1C)C1C(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7248 |
| logD: | 3.7247 |
| logSw: | -3.9339 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.123 |
| InChI Key: | HLEIQELUFKNJFK-UHFFFAOYSA-N |