N-{4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
N-{4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[(4-methylphenyl)methyl]acetamide
N-{4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | D502-0070 |
| Compound Name: | N-{4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C26 H22 Cl F N4 O3 |
| Smiles: | CC(N(Cc1ccc(C)cc1)C1C(N(CC(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4266 |
| logD: | 4.4161 |
| logSw: | -4.48 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.007 |
| InChI Key: | JMCROBDZEFFAGL-UHFFFAOYSA-N |