2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K784-7099 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 565.11 |
| Molecular Formula: | C27 H34 Cl F N4 O4 S |
| Smiles: | CC1CC(C)CN(CCCNC(c2ccc3c(c2)NC(C(CS(Cc2ccc(cc2[Cl])F)(=O)=O)N3)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5694 |
| logD: | 1.0225 |
| logSw: | -4.0468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.502 |
| InChI Key: | AINMAWNTJHQLQH-UHFFFAOYSA-N |