ethyl 4-{2-[(2,4-difluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(2,4-difluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperazine-1-carboxylate
ethyl 4-{2-[(2,4-difluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D531-0252 |
| Compound Name: | ethyl 4-{2-[(2,4-difluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperazine-1-carboxylate |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C22 H21 F2 N3 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C1=C(C(Nc2ccc(cc2F)F)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0088 |
| logD: | 2.7629 |
| logSw: | -3.6327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.049 |
| InChI Key: | HGOYBYUWMBPNLN-UHFFFAOYSA-N |