ethyl 1-{3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperidine-4-carboxylate
ethyl 1-{3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K781-7663 |
| Compound Name: | ethyl 1-{3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorobenzene-1-sulfonyl}piperidine-4-carboxylate |
| Molecular Weight: | 531.37 |
| Molecular Formula: | C21 H21 Br F2 N2 O5 S |
| Smiles: | CCOC(C1CCN(CC1)S(c1ccc(c(c1)C(Nc1ccc(cc1F)[Br])=O)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3854 |
| logD: | 2.9014 |
| logSw: | -4.1918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.096 |
| InChI Key: | CJJRKAGJOVPBIB-UHFFFAOYSA-N |