COC1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=C3)Cl)C(F)(F)F
Name: 2-chloro-4-[4-(2-methoxyphenyl)sulfanyl-3-(trifluoromethyl)phenyl]pyridine
SMILES: COC1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=NC=C3)Cl)C(F)(F)F

Molecular Processing

Molecular formula
C19H13ClF3NOS
Molecular weight
395.83
Exact mass
395.0358
XLogP
6.58
TPSA
22.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
96.8

Supplementary Information

InChIKey: ZRTOZZSFRNWPJE-UHFFFAOYSA-N
Synonyme
2-chloro-4-(4-(2-methoxy-phenylsulfanyl)-3-trifluoromethyl-phenyl)-pyridineSCHEMBL5419750
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