2-[(4,5-dicyano-2-nitrophenyl)sulfanyl]-N-(4-methylphenyl)benzamide
Chemical Structure Depiction of
2-[(4,5-dicyano-2-nitrophenyl)sulfanyl]-N-(4-methylphenyl)benzamide
2-[(4,5-dicyano-2-nitrophenyl)sulfanyl]-N-(4-methylphenyl)benzamide
Compound characteristics
| Compound ID: | 8017-6521 |
| Compound Name: | 2-[(4,5-dicyano-2-nitrophenyl)sulfanyl]-N-(4-methylphenyl)benzamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C22 H14 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1ccccc1Sc1cc(C#N)c(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.196 |
| logD: | 5.1959 |
| logSw: | -5.0556 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.251 |
| InChI Key: | APOAFMHHDZYUIC-UHFFFAOYSA-N |