3-[4-(4-acetylpiperazin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[4-(4-acetylpiperazin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-[4-(4-acetylpiperazin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0670 |
| Compound Name: | 3-[4-(4-acetylpiperazin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1)NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3081 |
| logD: | 0.3476 |
| logSw: | -2.3822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.822 |
| InChI Key: | YRQOYVZHYPADSE-UHFFFAOYSA-N |