ethyl 1-(3-fluorophenyl)-5-(4-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-fluorophenyl)-5-(4-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate
ethyl 1-(3-fluorophenyl)-5-(4-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V001-9335 |
| Compound Name: | ethyl 1-(3-fluorophenyl)-5-(4-{4-[2-(methylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl}phenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C29 H28 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2ccc(cc2)N2CCN(CC2)C(c2cccnc2SC)=O)n(c2cccc(c2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8313 |
| logD: | 4.8313 |
| logSw: | -4.6114 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.903 |
| InChI Key: | PXWUYHPOUPYXAL-UHFFFAOYSA-N |