ethyl ({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
ethyl ({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 5311-0264 |
| Compound Name: | ethyl ({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate |
| Molecular Weight: | 479.37 |
| Molecular Formula: | C21 H20 Br F N2 O3 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(cc1)F)=O)SCC(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2405 |
| logD: | 5.2405 |
| logSw: | -5.0474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.017 |
| InChI Key: | XDQYYFMCABZAJF-LJQANCHMSA-N |