2-nitro-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-nitro-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)benzamide
2-nitro-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0529 |
| Compound Name: | 2-nitro-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 461.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O3 S |
| Smiles: | Cc1cccc(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.517 |
| logD: | 1.3566 |
| logSw: | -4.6552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.44 |
| InChI Key: | IWVXHVOXMLEOIV-HNNXBMFYSA-N |