N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylacetamide
Chemical Structure Depiction of
N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylacetamide
N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylacetamide
Compound characteristics
| Compound ID: | J056-0060 |
| Compound Name: | N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-methylacetamide |
| Molecular Weight: | 452.82 |
| Molecular Formula: | C20 H16 Cl F3 N4 O3 |
| Smiles: | CC(N(C)C1C(N(CC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5991 |
| logD: | 2.5573 |
| logSw: | -3.4798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.327 |
| InChI Key: | QZMQQRLUIVKLPM-UHFFFAOYSA-N |