3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
Compound ID: | J087-0575 |
Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
Molecular Weight: | 414.44 |
Molecular Formula: | C20 H18 N2 O6 S |
Smiles: | C1COCCN1C(C1=C(c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 1.6213 |
logD: | -0.418 |
logSw: | -2.7346 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.289 |
InChI Key: | HBDJATSOEGPUTC-UHFFFAOYSA-N |