2-methyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-methyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-methyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0318-0145 |
| Compound Name: | 2-methyl-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 461.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O3 S |
| Smiles: | Cc1ccccc1C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.755 |
| logD: | 3.4824 |
| logSw: | -4.8713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | QWLIRTMRNANCJN-HNNXBMFYSA-N |