2-phenyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
Chemical Structure Depiction of
2-phenyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
2-phenyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide
Compound characteristics
| Compound ID: | 1501-0735 |
| Compound Name: | 2-phenyl-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}acetamide |
| Molecular Weight: | 442.79 |
| Molecular Formula: | C19 H18 Cl3 N3 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C([Cl])([Cl])[Cl])NC(Cc1ccccc1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7114 |
| logD: | 4.676 |
| logSw: | -5.1738 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.007 |
| InChI Key: | PMYBWSVKMBIJIT-SFHVURJKSA-N |