3-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
3-bromo-N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0602-0194 |
| Compound Name: | 3-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(c1cccc(c1)[Br])=O)=S)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8417 |
| logD: | 3.2223 |
| logSw: | -5.0365 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.674 |
| InChI Key: | DTHNVTSKJYDJPE-HNNXBMFYSA-N |