3-[4-(4-acetylpiperazin-1-yl)anilino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-[4-(4-acetylpiperazin-1-yl)anilino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-[4-(4-acetylpiperazin-1-yl)anilino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0449 |
| Compound Name: | 3-[4-(4-acetylpiperazin-1-yl)anilino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1)NC1=C(C(Nc2ccc(C)cc2)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5521 |
| logD: | 3.4658 |
| logSw: | -3.7874 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.356 |
| InChI Key: | UTGQQKKAJQCVBE-UHFFFAOYSA-N |