N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)formamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)formamide
N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)formamide
Compound characteristics
| Compound ID: | 0550-0148 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}ethyl)formamide |
| Molecular Weight: | 401.65 |
| Molecular Formula: | C11 H11 Cl3 N4 O4 S |
| Smiles: | [H]C(NC(C([Cl])([Cl])[Cl])NC(Nc1cc(ccc1OC)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6897 |
| logD: | 2.6738 |
| logSw: | -3.5711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.132 |
| InChI Key: | VFTHFVSZZWYAOY-VIFPVBQESA-N |