3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0650 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | C1COCCN1C(C1=C(c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7608 |
| logD: | -1.2786 |
| logSw: | -2.4599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.997 |
| InChI Key: | JOKKYXPQPCGMMB-UHFFFAOYSA-N |