3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0693 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 463.72 |
| Molecular Formula: | C16 H13 Cl3 N4 O4 S |
| Smiles: | c1ccc(c(c1)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=S)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8791 |
| logD: | 2.0245 |
| logSw: | -4.0975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.592 |
| InChI Key: | OBMQWQDMDTZWHF-AWEZNQCLSA-N |