2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0143 |
| Compound Name: | 2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 546.64 |
| Molecular Formula: | C17 H13 Cl5 N4 O4 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1[Cl])[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0295 |
| logD: | 3.4391 |
| logSw: | -6.2186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.286 |
| InChI Key: | DDCSQBQSULUGNJ-HNNXBMFYSA-N |