N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide
Chemical Structure Depiction of
N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide
N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide
Compound characteristics
| Compound ID: | J056-0240 |
| Compound Name: | N-(4-{2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-ethylacetamide |
| Molecular Weight: | 466.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O3 |
| Smiles: | CCN(C1C(N(CC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)c2ccccc2N=1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1959 |
| logD: | 3.1542 |
| logSw: | -3.5806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.306 |
| InChI Key: | JITYHVWENJSVQX-UHFFFAOYSA-N |