N-(3-methylphenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
N-(3-methylphenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K695-0066 |
| Compound Name: | N-(3-methylphenyl)-2-({3-[(3-nitrophenyl)methyl]quinoxalin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSc1c(Cc2cccc(c2)[N+]([O-])=O)nc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5057 |
| logD: | 5.5057 |
| logSw: | -5.4048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.556 |
| InChI Key: | NIGSYNXJCKKSRM-UHFFFAOYSA-N |