4-[(2-chlorophenyl)sulfanyl]-N-(3-methylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)sulfanyl]-N-(3-methylphenyl)-3-nitrobenzamide
4-[(2-chlorophenyl)sulfanyl]-N-(3-methylphenyl)-3-nitrobenzamide
Compound characteristics
Compound ID: | K784-1453 |
Compound Name: | 4-[(2-chlorophenyl)sulfanyl]-N-(3-methylphenyl)-3-nitrobenzamide |
Molecular Weight: | 398.87 |
Molecular Formula: | C20 H15 Cl N2 O3 S |
Smiles: | Cc1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.0399 |
logD: | 6.0394 |
logSw: | -6.0425 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.139 |
InChI Key: | HZGLIPZKFQMABF-UHFFFAOYSA-N |