N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 0318-0052 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-nitrophenyl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 385.65 |
| Molecular Formula: | C11 H11 Cl3 N4 O3 S |
| Smiles: | CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5092 |
| logD: | 2.4721 |
| logSw: | -3.4086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.912 |
| InChI Key: | DYMLKNCJEMMPPO-VIFPVBQESA-N |