N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide
N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 0318-0029 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(4-fluorophenyl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 420.72 |
| Molecular Formula: | C16 H13 Cl3 F N3 O S |
| Smiles: | c1ccc(cc1)C(NC(C([Cl])([Cl])[Cl])NC(Nc1ccc(cc1)F)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0841 |
| logD: | 3.2963 |
| logSw: | -4.4917 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 43.36 |
| InChI Key: | XNBFVVLQMNQIGC-AWEZNQCLSA-N |