3-(3-bromoanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-(3-bromoanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-(3-bromoanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0587 |
| Compound Name: | 3-(3-bromoanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C19 H17 Br N2 O4 S |
| Smiles: | C1COCCN1C(C1=C(c2ccccc2S1(=O)=O)Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5963 |
| logD: | -0.0164 |
| logSw: | -3.4038 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.174 |
| InChI Key: | GSHJGDRXLMIYDM-UHFFFAOYSA-N |