2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4485 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C26 H18 F3 N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C1/C(=Cc3ccccc3O1)C(Nc1cccc(c1)C(F)(F)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.4001 |
| logD: | 6.3782 |
| logSw: | -6.2846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.807 |
| InChI Key: | NFVYQJYPIXQUBQ-UHFFFAOYSA-N |