N-{4-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylacetamide
Chemical Structure Depiction of
N-{4-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylacetamide
N-{4-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylacetamide
Compound characteristics
| Compound ID: | J056-0059 |
| Compound Name: | N-{4-[2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylacetamide |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C21 H21 Br N4 O3 |
| Smiles: | CC(N(C)C1C(N(CC(Nc2cc(C)c(c(C)c2)[Br])=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0035 |
| logD: | 3.0035 |
| logSw: | -3.1831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.025 |
| InChI Key: | CUDSCDWLNPMWKC-UHFFFAOYSA-N |