3-(3,4-dimethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-(3,4-dimethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-(3,4-dimethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0545 |
| Compound Name: | 3-(3,4-dimethylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7756 |
| logD: | 2.0194 |
| logSw: | -3.459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.174 |
| InChI Key: | DXZKFBCEFUZYBK-UHFFFAOYSA-N |