N-{4-[2-(3-bromoanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylpropanamide
Chemical Structure Depiction of
N-{4-[2-(3-bromoanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylpropanamide
N-{4-[2-(3-bromoanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylpropanamide
Compound characteristics
| Compound ID: | J056-0096 |
| Compound Name: | N-{4-[2-(3-bromoanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-methylpropanamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C20 H19 Br N4 O3 |
| Smiles: | CCC(N(C)C1C(N(CC(Nc2cccc(c2)[Br])=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.85 |
| logD: | 2.8498 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.03 |
| InChI Key: | OVIPYSIYMRCLLW-UHFFFAOYSA-N |