3-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0692 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 463.72 |
| Molecular Formula: | C16 H13 Cl3 N4 O4 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4892 |
| logD: | 1.6347 |
| logSw: | -3.759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.358 |
| InChI Key: | KOHDMVHMXCAIMP-AWEZNQCLSA-N |