3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0436 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C22 H15 F N2 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)NC1=C(C(Nc2ccc(cc2)F)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.471 |
| logD: | 2.8773 |
| logSw: | -3.9329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.823 |
| InChI Key: | VWOJSJKXFVCBRG-UHFFFAOYSA-N |