2-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
2-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
2-nitro-N-(2,2,2-trichloro-1-{[(2-hydroxyphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1490-0061 |
| Compound Name: | 2-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)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccccc1O)=S)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9302 |
| logD: | 0.7698 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.291 |
| InChI Key: | ZYWXGHFRZAHBMW-AWEZNQCLSA-N |