3-[3-(methylsulfanyl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[3-(methylsulfanyl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-[3-(methylsulfanyl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0643 |
| Compound Name: | 3-[3-(methylsulfanyl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C20 H20 N2 O4 S2 |
| Smiles: | CSc1cccc(c1)NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2491 |
| logD: | 1.2831 |
| logSw: | -3.1371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.174 |
| InChI Key: | FWPKJXPKHATSOI-UHFFFAOYSA-N |