N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-nitrobenzamide
N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1309-1203 |
| Compound Name: | N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-nitrobenzamide |
| Molecular Weight: | 526.62 |
| Molecular Formula: | C16 H12 Br Cl3 N4 O3 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)[Br])=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9398 |
| logD: | 3.0853 |
| logSw: | -5.202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.741 |
| InChI Key: | RTXZUHFPPRRPPZ-AWEZNQCLSA-N |