3-methoxy-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-methoxy-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-methoxy-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0649-0022 |
| Compound Name: | 3-methoxy-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 477.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O4 S |
| Smiles: | COc1cccc(c1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.29 |
| logD: | 3.9346 |
| logSw: | -4.7484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.285 |
| InChI Key: | LBWUSIDZLHTOQF-HNNXBMFYSA-N |