3,4-dimethoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3,4-dimethoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3,4-dimethoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0502-0060 |
| Compound Name: | 3,4-dimethoxy-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 537.8 |
| Molecular Formula: | C19 H19 Cl3 N4 O6 S |
| Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(c(c1)OC)OC)=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6171 |
| logD: | 3.4052 |
| logSw: | -4.2527 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.935 |
| InChI Key: | GHJMTQCBNKHFMC-KRWDZBQOSA-N |