4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(2,4-dichlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(2,4-dichlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

CAS: 338960-86-4

Formula: C23H16Cl3N3S2

SMILES: ClC1=CC=C(CSCC2=CC(SC3=C(Cl)C=C(Cl)C=C3)=NC(=N2)C2=NC=CC=C2)C=C1

IUPAC: 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(2,4-dichlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine

InChI: InChI=1S/C23H16Cl3N3S2/c24-16-6-4-15(5-7-16)13-30-14-18-12-22(31-21-9-8-17(25)11-19(21)26)29-23(28-18)20-3-1-2-10-27-20/h1-12H,13-14H2

Composition: C (54.72%), H (3.19%), Cl (21.06%), N (8.32%), S (12.70%)

Molar Mass: 504.87

Atom Count: 47

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 502.985123
Formal Charge 0
FSP3 0.09
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YZWKNBRFWUPPMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 144.75
Topological Polar Surface Area 38.67
Polarizability 52.52
Ring Count 4
Rotatable Bond Count 7

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