3-(3-chloro-4-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-(3-chloro-4-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-(3-chloro-4-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0552 |
| Compound Name: | 3-(3-chloro-4-methylanilino)-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 418.9 |
| Molecular Formula: | C20 H19 Cl N2 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1784 |
| logD: | 0.4448 |
| logSw: | -3.7334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.174 |
| InChI Key: | JXADPADXKZCSKI-UHFFFAOYSA-N |