2-chloro-6-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine

• ChemBase ID: 86698
• Molecular Formular: C20H11Cl3N2OS
• Molecular Mass: 433.73814
• Monoisotopic Mass: 431.96576702
• SMILES: n1c(c2cc(nc(c2)Oc2ccc(cc2)Cl)Cl)scc1c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)Oc1nc(Cl)cc(c1)c1scc(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C20H11Cl3N2OS/c21-14-3-1-12(2-4-14)17-11-27-20(24-17)13-9-18(23)25-19(10-13)26-16-7-5-15(22)6-8-16/h1-11H
• InChIKey: SSKIVISLYUJSPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine
• IUPAC Traditional name: 2-chloro-6-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine
• Synonyms: 2-[2-chloro-6-(4-chlorophenoxy)-4-pyridyl]-4-(4-chlorophenyl)-1,3-thiazole

Database IDs

• MDL Number: MFCD00221351
• PubChem SID: 162073814
• PubChem CID: 2799930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.599231
• LogD (pH = 7.4): 7.5992675
• Log P: 7.599268
• Molar Refractivity: 121.0053 cm^3
• Polarizability: 44.420887 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false