3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0525 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-fluorophenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C23 H17 F N2 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC1=C(C(Nc2ccc(cc2)F)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1148 |
| logD: | 3.1141 |
| logSw: | -3.6826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.146 |
| InChI Key: | VORHIHJCXSGPND-UHFFFAOYSA-N |