N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0318-0022 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 447.73 |
| Molecular Formula: | C16 H13 Cl3 N4 O3 S |
| Smiles: | c1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc(c1)[N+]([O-])=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1228 |
| logD: | 3.335 |
| logSw: | -4.6508 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | FLXQCYPMLDYAIY-AWEZNQCLSA-N |