3-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
3-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1501-0685 |
| Compound Name: | 3-nitro-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 526.8 |
| Molecular Formula: | C16 H14 Cl3 N5 O5 S2 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)S(N)(=O)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4665 |
| logD: | 0.6119 |
| logSw: | -3.6472 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.344 |
| InChI Key: | MVYVGBODBJULNQ-AWEZNQCLSA-N |