methyl 1-{2-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-{2-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
methyl 1-{2-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | J087-0529 |
| Compound Name: | methyl 1-{2-[(4-fluorophenyl)carbamoyl]-1,1-dioxo-1H-1-benzothiophen-3-yl}piperidine-4-carboxylate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C22 H21 F N2 O5 S |
| Smiles: | COC(C1CCN(CC1)C1=C(C(Nc2ccc(cc2)F)=O)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7298 |
| logD: | 2.7255 |
| logSw: | -3.6327 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.141 |
| InChI Key: | UTLUZQCCBYYFPS-UHFFFAOYSA-N |