이름: 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine
SMILES:
CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CN=CC=C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)ClMolecular Processing
Molecular formula
C22H14Cl3N3O3S
Molecular weight
506.8
Exact mass
504.9821
XLogP
6.36
TPSA
82.04
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
125.35
Supplementary Information
InChIKey: QUIRIPKSSPVTFX-UHFFFAOYSA-N
동의어
SCHEMBL4808497QUIRIPKSSPVTFX-UHFFFAOYSA-N2-methylsulfonyl-4-(3-pyridyloxy)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
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