2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0522 |
| Compound Name: | 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 492.72 |
| Molecular Formula: | C16 H12 Cl3 N5 O5 S |
| Smiles: | c1ccc(c(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2248 |
| logD: | 1.0644 |
| logSw: | -4.6411 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.822 |
| InChI Key: | KZCAAZBCSFMEHB-AWEZNQCLSA-N |