2-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0318-0147 |
| Compound Name: | 2-methyl-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 491.78 |
| Molecular Formula: | C18 H17 Cl3 N4 O4 S |
| Smiles: | Cc1ccccc1C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1[N+]([O-])=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.073 |
| logD: | 3.8003 |
| logSw: | -5.2379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.286 |
| InChI Key: | HHZCEVXCWLSGLA-INIZCTEOSA-N |