3-bromo-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-bromo-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0193 |
| Compound Name: | 3-bromo-N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 556.65 |
| Molecular Formula: | C17 H14 Br Cl3 N4 O4 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Br])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3947 |
| logD: | 3.7752 |
| logSw: | -6.0977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.286 |
| InChI Key: | DQRJNNSKUKUSAM-HNNXBMFYSA-N |