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 |