N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Compound characteristics
| Compound ID: | 0318-0055 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide |
| Molecular Weight: | 415.68 |
| Molecular Formula: | C12 H13 Cl3 N4 O4 S |
| Smiles: | CC(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1[N+]([O-])=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9693 |
| logD: | 2.9322 |
| logSw: | -3.6641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.457 |
| InChI Key: | REKZREGUTSIEOZ-JTQLQIEISA-N |