3-nitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
Compound ID: | 1501-0682 |
Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(2-methylphenyl)carbamothioyl]amino}ethyl)benzamide |
Molecular Weight: | 461.75 |
Molecular Formula: | C17 H15 Cl3 N4 O3 S |
Smiles: | Cc1ccccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 4.142 |
logD: | 2.2875 |
logSw: | -4.5859 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.044 |
InChI Key: | ACMIWJCBTSIWOG-HNNXBMFYSA-N |