3-(4-bromo-2-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-(4-bromo-2-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-(4-bromo-2-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0633 |
| Compound Name: | 3-(4-bromo-2-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 463.35 |
| Molecular Formula: | C20 H19 Br N2 O4 S |
| Smiles: | Cc1cc(ccc1NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9298 |
| logD: | 0.1609 |
| logSw: | -3.4836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.476 |
| InChI Key: | YKEDENUTRQODGO-UHFFFAOYSA-N |