N-(1-{[(4-acetamidophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(1-{[(4-acetamidophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-phenylprop-2-enamide
N-(1-{[(4-acetamidophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 1501-0149 |
| Compound Name: | N-(1-{[(4-acetamidophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-phenylprop-2-enamide |
| Molecular Weight: | 485.82 |
| Molecular Formula: | C20 H19 Cl3 N4 O2 S |
| Smiles: | CC(Nc1ccc(cc1)NC(NC(C([Cl])([Cl])[Cl])NC(/C=C\c1ccccc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0697 |
| logD: | 3.9988 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 66.408 |
| InChI Key: | MXFYDLFFAMIPPC-SFHVURJKSA-N |