2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0437-0078 |
| Compound Name: | 2-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 556.65 |
| Molecular Formula: | C17 H14 Br Cl3 N4 O4 S |
| Smiles: | COc1ccc(cc1NC(NC(C([Cl])([Cl])[Cl])NC(c1ccccc1[Br])=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6104 |
| logD: | 2.9509 |
| logSw: | -4.7574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.674 |
| InChI Key: | UPRGSSLDRVPVIL-HNNXBMFYSA-N |