3-(4-ethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-(4-ethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-(4-ethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
Compound ID: | J087-0564 |
Compound Name: | 3-(4-ethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
Molecular Weight: | 398.48 |
Molecular Formula: | C21 H22 N2 O4 S |
Smiles: | CCc1ccc(cc1)NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7189 |
logD: | 1.8081 |
logSw: | -3.5354 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.174 |
InChI Key: | HBWHTVONOQGKDI-UHFFFAOYSA-N |