2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0090 |
| Compound Name: | 2,4-dichloro-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C16 H11 Cl5 N4 O3 S |
| Smiles: | c1cc(ccc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1[Cl])[Cl])=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5695 |
| logD: | 2.979 |
| logSw: | -6.127 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | VSQWMMPUGFGWSB-AWEZNQCLSA-N |