3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Chemical Structure Depiction of
3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione
Compound characteristics
| Compound ID: | J087-0678 |
| Compound Name: | 3-[3-chloro-4-(pyrrolidin-1-yl)anilino]-2-(morpholine-4-carbonyl)-1H-1-benzothiophene-1,1-dione |
| Molecular Weight: | 473.98 |
| Molecular Formula: | C23 H24 Cl N3 O4 S |
| Smiles: | C1CCN(C1)c1ccc(cc1[Cl])NC1=C(C(N2CCOCC2)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2116 |
| logD: | 0.4219 |
| logSw: | -3.8614 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.691 |
| InChI Key: | RFEJSGJTNPOWJO-UHFFFAOYSA-N |