2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 0966-0057 |
| Compound Name: | 2-phenyl-N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 461.75 |
| Molecular Formula: | C17 H15 Cl3 N4 O3 S |
| Smiles: | C(C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.976 |
| logD: | 3.7539 |
| logSw: | -4.4037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.528 |
| InChI Key: | NQZANCWKDVTZFV-HNNXBMFYSA-N |