3,5-dinitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Chemical Structure Depiction of
3,5-dinitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
3,5-dinitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | 1309-0758 |
| Compound Name: | 3,5-dinitro-N-{2,2,2-trichloro-1-[(phenylcarbamothioyl)amino]ethyl}benzamide |
| Molecular Weight: | 492.72 |
| Molecular Formula: | C16 H12 Cl3 N5 O5 S |
| Smiles: | c1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9329 |
| logD: | 0.946 |
| logSw: | -4.4958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.123 |
| InChI Key: | CRNVTZIBGTWROV-AWEZNQCLSA-N |