N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0318-0024 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 477.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O4 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4407 |
| logD: | 3.653 |
| logSw: | -4.7499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.286 |
| InChI Key: | RQOIPQIEAUXRTO-HNNXBMFYSA-N |