3-nitro-N-{2,2,2-trichloro-1-[({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
Chemical Structure Depiction of
3-nitro-N-{2,2,2-trichloro-1-[({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
3-nitro-N-{2,2,2-trichloro-1-[({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1501-0698 |
| Compound Name: | 3-nitro-N-{2,2,2-trichloro-1-[({2-methyl-4-[(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide |
| Molecular Weight: | 579.89 |
| Molecular Formula: | C24 H21 Cl3 N6 O3 S |
| Smiles: | Cc1ccccc1/N=N\c1ccc(c(C)c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8225 |
| logD: | 4.968 |
| logSw: | -6.3305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.033 |
| InChI Key: | SSFAFBRLQLHNAE-QFIPXVFZSA-N |