2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-2H-1-benzopyran-3-carboxamide
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2432-4466 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H18 F N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C1/C(=Cc3ccccc3O1)C(Nc1ccccc1F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.3352 |
| logD: | 5.3285 |
| logSw: | -5.6025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.11 |
| InChI Key: | BRAMISPCCLCSJD-UHFFFAOYSA-N |