3-(4-cyanoanilino)-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-(4-cyanoanilino)-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-(4-cyanoanilino)-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0432 |
| Compound Name: | 3-(4-cyanoanilino)-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 419.43 |
| Molecular Formula: | C22 H14 F N3 O3 S |
| Smiles: | C(c1ccc(cc1)NC1=C(C(Nc2ccc(cc2)F)=O)S(c2ccccc12)(=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.2923 |
| logD: | 1.8738 |
| logSw: | -4.0397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.764 |
| InChI Key: | ZPHHIZAEERGZSS-UHFFFAOYSA-N |