N-(3-chloro-4-fluorophenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K695-0069 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 482.92 |
| Molecular Formula: | C23 H16 Cl F N4 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)c1c(nc2ccccc2n1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8759 |
| logD: | 5.8661 |
| logSw: | -6.1355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.556 |
| InChI Key: | LBFXVMSLTYQSON-UHFFFAOYSA-N |