3-chloro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-chloro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-chloro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0687-1339 |
| Compound Name: | 3-chloro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 482.17 |
| Molecular Formula: | C16 H12 Cl4 N4 O3 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8906 |
| logD: | 3.2712 |
| logSw: | -5.0827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | MTGFLIMYEGBELY-AWEZNQCLSA-N |